SCHEMBL10550597

SCHEMBL10550597

Cc1c(C)c2c(C)c3c(CCl)coc3cc2oc1=O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH2 P05091 3/20 0.44
KDM4E B2RXH2 8/20 0.40
KMT2A Q03164 3/20 0.40
MAPK1 P28482 2/20 0.40
PON1 P27169 2/20 0.40
RAB9A P51151 1/20 0.40
THRB P10828 1/20 0.37
HPGD P15428 5/20 0.36
TSHR P16473 2/20 0.36
ALDH1A1 P00352 8/20 0.36
HSD17B10 Q99714 4/20 0.36
ALDH1A2 O94788 2/20 0.36
ALDH1B1 P30837 2/20 0.36
ALDH1A3 P47895 2/20 0.36
MAPT P10636 1/20 0.34
LMNA P02545 3/20 0.34
BRD4 O60885 1/20 0.33
POLB P06746 2/20 0.33
MEN1 O00255 2/20 0.33

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
SCHEMBL7598443 0.85 ALDH2 (0.44) ALDH2KDM4EKMT2AMAPK1THRB
SCHEMBL5903908 0.85 ALDH2 (0.44) ALDH2KDM4EKMT2AMAPK1THRB
SCHEMBL9277301 0.79 ALDH2 (0.63) ALDH2KDM4EKMT2AMAPK1THRB
SCHEMBL10789998 0.75 HSD17B3 (0.46) ALDH2KDM4EKMT2AMAPK1PON1
SCHEMBL10548888 0.72 ALDH2 (0.45) ALDH2KDM4EKMT2AMAPK1THRB
SCHEMBL17525029 0.67 ALDH2 (0.59) ALDH2KDM4EKMT2AMAPK1THRB
SCHEMBL5086676 0.65 PON1 (0.47) ALDH2KDM4EKMT2AMAPK1PON1
SCHEMBL1002679 0.65 CYP3A4 (0.49) ALDH2KDM4EMAPK1THRBHPGD
SCHEMBL27907872 0.64 ALDH2 (0.47) ALDH2KDM4EMAPK1HPGDTSHR
Hydrochloric Acid SCHEMBL9098003 0.64 ADORA3 (0.48) ALDH2KDM4EMAPK1THRBHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4868311-A DETECTION, ISOLATION, PURIFICATION OF NUCLEIC ACIDS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 1989-09-19 US disclosed
EP-0262212-A1 BIOTINYLATED PSORALENS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 1988-04-06 EP disclosed
WO-1987005805-A1 BIOTINYLATED PSORALENS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF (US) 1987-10-08 WO disclosed
US-4169204-A WATER SOLUBLE, IMPROVED BONDING ABILITY WITH NUCLEIC ACIDS REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1979-09-25 US disclosed