SCHEMBL7739689

SCHEMBL7739689

CC(Oc1cccc2c1OCC(=O)N2CCO)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 1/20 0.40
KMT2A Q03164 2/20 0.39
POLB P06746 2/20 0.39
HSD17B10 Q99714 1/20 0.39
DRD2 P14416 1/20 0.38
HTR2A P28223 1/20 0.38
MCHR1 Q99705 1/20 0.38
KMO O15229 2/20 0.37
ALDH1A1 P00352 2/20 0.37
CHRM1 P11229 2/20 0.37
HTR6 P50406 1/20 0.36
EDNRB P24530 1/20 0.36
EDNRA P25101 1/20 0.36
MEN1 O00255 1/20 0.36
CBX7 O95931 1/20 0.34
CDYL2 Q8N8U2 1/20 0.34
CDYL Q9Y232 1/20 0.34
CDY1; CDY1B Q9Y6F8 1/20 0.34
THRB P10828 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL7737834 0.81 PTGIR (0.43) ALOX12KMT2APOLBHSD17B10DRD2
SCHEMBL7729988 0.74 HTR6 (0.41) KMT2ADRD2HTR2AMCHR1KMO
SCHEMBL3584551 0.73 HTR6 (0.41) KMT2ADRD2HTR2AMCHR1KMO
SCHEMBL4973366 0.70 KMO (0.49) ALOX12KMT2APOLBHSD17B10KMO
SCHEMBL11287448 0.68 KMT2A (0.46) KMT2AHTR2ATSHR
SCHEMBL4969042 0.67 HSD17B10 (0.46) ALOX12KMT2APOLBHSD17B10ALDH1A1
SCHEMBL7358743 0.67 ALDH1A1 (0.61) KMT2APOLBALDH1A1MEN1CBX7
SCHEMBL4971237 0.67 TSHR (0.50) ALOX12KMT2APOLBKMOALDH1A1
SCHEMBL7730166 0.67 CHRM1 (0.38) ALOX12KMT2APOLBHSD17B10DRD2
SCHEMBL7736578 0.67 DRD2 (0.41) KMT2APOLBHSD17B10DRD2HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6407096-B1 1,4-BENZOTHIAZINE AND 1,4-BENZOXAZINE DERIVATIVES; HYPOTENSIVE, ANTIISCHEMIC, ANTIALLERGEN, ANTIASTHMATIC AND ANTICOAGULANT AGENTS; CARDIOVASCULAR DISORDERS TORAY INDUSTRIES, INC. (JP) 2002-06-18 US disclosed