SCHEMBL6241125

SCHEMBL6241125

CC(C)Oc1ccc(OP(Oc2ccc(OC(C)C)cc2)Oc2ccc(OC(C)C)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A3 P47895 1/20 0.50
▸ KMT2A Q03164 4/20 0.48
▸ PARP10 Q53GL7 1/20 0.47
▸ POLB P06746 1/20 0.44
▸ GLA P06280 1/20 0.42
▸ BRD4 O60885 1/20 0.41
▸ BRPF1 P55201 1/20 0.41
▸ ALDH1A1 P00352 5/20 0.41
▸ GAA P10253 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ NLRP1 Q9C000 1/20 0.39
▸ LMNA P02545 3/20 0.37
▸ TP53 P04637 2/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ PTPN5 P54829 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ NOTUM Q6P988 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL125543 0.84 ALDH1A3 (0.64) ALDH1A3KMT2APARP10POLBGLA
SCHEMBL6241127 0.81 KMT2A (0.50) ALDH1A3KMT2APARP10POLBGLA
SCHEMBL104201 0.79 ALDH1A3 (0.54) ALDH1A3KMT2APARP10POLBGLA
Hydrogen Peroxide SCHEMBL28902806 0.78 KMT2A (0.70) ALDH1A3KMT2APARP10POLBGLA
SCHEMBL256381 0.77 ALDH1A3 (0.52) ALDH1A3KMT2APARP10POLBGLA
SCHEMBL197284 0.76 ALDH1A3 (0.56) ALDH1A3KMT2APARP10POLBGLA
SCHEMBL6282894 0.76 ALDH1A3 (0.56) ALDH1A3KMT2APARP10POLBGLA
SCHEMBL1239857 0.75 KMT2A (0.40) KMT2APOLBALDH1A1MAPTMEN1
SCHEMBL153796 0.75 ALDH1A3 (0.50) ALDH1A3KMT2APARP10POLBGLA
SCHEMBL25218457 0.75 ACHE (0.41) KMT2APOLBALDH1A1MAPTNLRP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005010028-A1 ALPHA-AMINO ACID BENZOTHIAZOLYLTHIO ESTER AS INTERMEDIATES FOR MANUFACTURE OF ACE INHIBITORS AND PROCESS FOR PREPARATION THEREOF LUPIN LIMITED (IN) 2005-02-03 — — WO claimed
WO-2005010028-A1 ALPHA-AMINO ACID BENZOTHIAZOLYLTHIO ESTER AS INTERMEDIATES FOR MANUFACTURE OF ACE INHIBITORS AND PROCESS FOR PREPARATION THEREOF LUPIN LIMITED (IN) 2005-02-03 — — WO disclosed
EP-0015079-B1 HALOGENATING COMPOUNDS AND A PROCESS FOR THEIR PRODUCTION ELI LILLY AND COMPANY (US) 1987-09-09 — — EP disclosed
EP-0014567-B1 PROCESSES FOR PREPARATION OF BETA-LACTAM COMPOUNDS ELI LILLY AND COMPANY (US) 1984-01-18 — — EP disclosed
EP-0015080-B1 PROCESS FOR THE STABILIZATION OF HALOGENATING COMPOUND AND STABILIZED HALOGENATING COMPOSITIONS ELI LILLY AND COMPANY (US) 1983-07-13 — — EP disclosed
EP-0014566-B1 HALOGENATED BETA-LACTAM COMPOUNDS AND PROCESS FOR THEIR PREPARATION ELI LILLY AND COMPANY (US) 1983-05-25 — — EP disclosed
US-4271305-A ANTIBIOTICS ELI LILLY AND COMPANY (US) 1981-06-02 — — US disclosed
US-4240988-A WITH TERTIARY AMINE BASES OR HALIDE COMPLEXING AGENTS ELI LILLY AND COMPANY (US) 1980-12-23 — — US disclosed
US-4230644-A DERIVED FROM TRIARYL PHOSPHITES AND CHLORINE OR BROMINE ELI LILLY AND COMPANY (US) 1980-10-28 — — US disclosed
US-4226986-A 7-ACYLAMINO-3-HYDROXY-3-CEPHEM COMPOUND, TRIARYL PHOSPHITE DIHALIDE ELI LILLY AND COMPANY (US) 1980-10-07 — — US disclosed
US-4223133-A USING A TRIARYL PHOSPHITE-HALOGEN COMPLEX ELI LILLY AND COMPANY (US) 1980-09-16 — — US disclosed
EP-0015080-A1 Process for the stabilization of halogenating compound and stabilized halogenating compositions ELI LILLY AND COMPANY (US) 1980-09-03 — — EP disclosed
EP-0015079-A1 Halogenating compounds and a process for their production ELI LILLY AND COMPANY (US) 1980-09-03 — — EP disclosed
EP-0014567-A1 Processes for preparation of beta-lactam compounds ELI LILLY AND COMPANY (US) 1980-08-20 — — EP disclosed
EP-0014566-A1 Halogenated beta-lactam compounds and process for their preparation ELI LILLY AND COMPANY (US) 1980-08-20 — — EP disclosed
US-4211702-A TRIARYLPHOSPHITE-HALOGEN COMPLEX HALOGENATING AGENT ELI LILLY AND COMPANY (US) 1980-07-08 — — US disclosed
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