SCHEMBL10937469

SCHEMBL10937469

CC(=O)OC[C@H]1O[C@H](Br)[C@H](OC(C)=O)[C@@H](NC(=O)OCc2ccccc2)[C@@H]1OC(C)=O

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.54
▸ KMT2A Q03164 1/20 0.52
▸ TSHR P16473 1/20 0.50
▸ POLB P06746 2/20 0.48
▸ ALDH1A1 P00352 3/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ CTSB P07858 2/20 0.40
▸ CTSS P25774 2/20 0.40
▸ CTSK P43235 2/20 0.40
▸ CTSL P07711 1/20 0.40
▸ CA12 O43570 6/20 0.40
▸ CA1 P00915 6/20 0.40
▸ CA2 P00918 6/20 0.40
▸ CA9 Q16790 4/20 0.40
▸ CA4 P22748 2/20 0.40
▸ CA5A P35218 2/20 0.40
▸ CA7 P43166 2/20 0.40
▸ CA5B Q9Y2D0 2/20 0.40

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
SCHEMBL10618200 1.00 LMNA (0.54) LMNAKMT2ATSHRPOLBALDH1A1
SCHEMBL10618206 1.00 LMNA (0.54) LMNAKMT2ATSHRPOLBALDH1A1
SCHEMBL10938360 0.92 LMNA (0.59) LMNAKMT2ATSHRPOLBALDH1A1
SCHEMBL10617277 0.92 LMNA (0.59) LMNAKMT2ATSHRPOLBALDH1A1
SCHEMBL10617287 0.92 LMNA (0.59) LMNAKMT2ATSHRPOLBALDH1A1
SCHEMBL10618189 0.88 LMNA (0.55) LMNAKMT2ATSHRPOLBALDH1A1
SCHEMBL10618179 0.88 LMNA (0.55) LMNAKMT2ATSHRPOLBALDH1A1
SCHEMBL11391188 0.88 LMNA (0.54) LMNAKMT2ATSHRPOLBALDH1A1
SCHEMBL11391185 0.88 LMNA (0.54) LMNAKMT2ATSHRPOLBALDH1A1
SCHEMBL10618215 0.84 LMNA (0.60) LMNAKMT2ATSHRPOLBALDH1A1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4547567-A ANTICARCINOGENIC, ANTITUMOR AGENTS ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1985-10-15 — — US disclosed
US-4252970-A MULTISTEP PROCESS, ONE STEP IS DESULFONATION OF 6-SULFONYLNEAMINES TO FORM 5,6-DIDEOXY-5-OXONEAMINES THE UPJOHN COMPANY (US) 1981-02-24 — — US disclosed
US-4232148-A ANTIBACTERIAL THE UPJOHN COMPANY (US) 1980-11-04 — — US disclosed
US-4169197-A ANTIBIOTICS THE UPJOHN COMPANY (US) 1979-09-25 — — US disclosed
US-4038478-A ANTIBACTERIAL AGENTS THE UPJOHN COMPANY (US) 1977-07-26 — — US disclosed
US-3996205-A BACTERICIDES THE UPJOHN COMPANY (US) 1976-12-07 — — US disclosed
US-3984393-A BACTERICIDES THE UPJOHN COMPANY (US) 1976-10-05 — — US disclosed
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