SCHEMBL11640545

SCHEMBL11640545

CCOC(=O)c1cc(=O)c2cc3c(=O)cc(C(=O)OCC)[nH]c3c(C)c2[nH]1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.64
ALDH1A1 P00352 7/20 0.46
KDM4E B2RXH2 7/20 0.46
HPGD P15428 4/20 0.46
HSD17B10 Q99714 2/20 0.46
POLB P06746 2/20 0.46
MAPK1 P28482 1/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 3/20 0.45
KMT2A Q03164 2/20 0.45
CDK1 P06493 1/20 0.45
CCNB1 P14635 1/20 0.45
LMNA P02545 3/20 0.44
NPC1 O15118 3/20 0.44
GAA P10253 3/20 0.44
GLA P06280 2/20 0.44
MEN1 O00255 1/20 0.44
ATM Q13315 1/20 0.44
HPGDS O60760 1/20 0.44

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
SCHEMBL11723446 0.84 GPR35 (0.68) GPR35ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL11180617 0.80 GAA (0.54) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL18758665 0.78 CDK1 (0.44) GPR35ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL11641819 0.78 GPR35 (1.00) GPR35ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL11190882 0.77 CDK1 (0.70) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL11194586 0.76 GAA (0.76) ALDH1A1KDM4EHPGDPOLBRAB9A
SCHEMBL5565082 0.76 KDM4E (0.62) GPR35ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL31437284 0.76 KDM4E (0.62) GPR35ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL10954062 0.76 MAOB (0.46) GPR35ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL11638394 0.76 GPR35 (0.70) GPR35ALDH1A1KDM4EHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4126617-A PROPHYLAXIS THE UPJOHN COMPANY (US) 1978-11-21 US disclosed
US-4064248-A TREATMENT OF ASTHMA THE UPJOHN COMPANY (US) 1977-12-20 US disclosed
US-3959289-A PROPHYLACTICS IN ALLERGIES THE UPJOHN COMPANY (US) 1976-05-25 US disclosed