SCHEMBL9753149

SCHEMBL9753149

CC(=O)c1cc(O)cc(C)c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA5A P35218 1/20 0.44
CYP3A4 P08684 6/20 0.43
HPGD P15428 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 2/20 0.42
HMGB1 P09429 1/20 0.42
CXCL12 P48061 1/20 0.42
MAPK1 P28482 1/20 0.42
NSD2 O96028 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
MCL1 Q07820 1/20 0.42
ACHE P22303 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
CHRM1 P11229 1/20 0.41
ALOX15 P16050 1/20 0.41
MAOA P21397 1/20 0.41
TBXA2R P21731 1/20 0.41

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
SCHEMBL471443 0.82 KDM4E (0.46) CYP3A4HPGDMEN1KMT2AALDH1A1
SCHEMBL38891 0.82 HMGB1 (0.62) CYP3A4HPGDMEN1KMT2AALDH1A1
SCHEMBL11785416 0.80 HMGB1 (0.60) CYP3A4HPGDMEN1KMT2AALDH1A1
SCHEMBL27931627 0.80 CYP3A4 (0.52) CA5ACYP3A4HPGDMEN1KMT2A
SCHEMBL6900728 0.80 CA5A (0.48) CA5AHPGDMEN1KMT2AALDH1A1
SCHEMBL30644001 0.79 KDM4E (0.44) CA5ACYP3A4HPGDMEN1KMT2A
SCHEMBL2978776 0.79 MEN1 (0.56) CA5ACYP3A4HPGDMEN1KMT2A
SCHEMBL670721 0.79 KDM4E (0.44) CA5ACYP3A4HPGDMEN1KMT2A
SCHEMBL11785412 0.78 HMGB1 (0.40) CYP3A4HPGDMEN1KMT2AALDH1A1
SCHEMBL1546708 0.78 KDR (0.46) CYP3A4HPGDMEN1KMT2AALDH1A1

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
EP-0434827-A1 QUINOLINYL-BENZOPYRAN DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D 4? RORER INTERNATIONAL (HOLDINGS), INC. (US) 1991-07-03 EP disclosed
WO-1991001123-A2 QUINOLINYL-BENZOPYRAN DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D¿4? RORER INTERNATIONAL (OVERSEAS) INC. (US) 1991-02-07 WO disclosed
US-4977162-A Quinolinyl-chromone derivatives and use for treatment of hypersensitive ailments RORER PHARMACEUTICAL CORPORATION (US) 1990-12-11 US disclosed