SCHEMBL7340936

SCHEMBL7340936

COc1cc(C(=O)O)ccc1C=Cc1ccccc1OCCCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.52
ALDH1A1 P00352 3/20 0.51
POLB P06746 1/20 0.51
TSHR P16473 1/20 0.50
NR1H3 Q13133 1/20 0.47
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
RAB9A P51151 2/20 0.46
MAPT P10636 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
DRD2 P14416 2/20 0.45
DRD3 P35462 2/20 0.45
KEAP1 Q14145 2/20 0.45
NFE2L2 Q16236 2/20 0.45
GAA P10253 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
SCHEMBL6566519 0.81 MAPK1 (0.69) MAPK1ALDH1A1POLBTSHRSMN1; SMN2
SCHEMBL8322902 0.78 RXRA (0.61) ALDH1A1SMN1; SMN2RAB9AGAA
SCHEMBL8322900 0.78 RXRA (0.61) ALDH1A1SMN1; SMN2RAB9AGAA
SCHEMBL9798906 0.77 MAPK1 (0.69) MAPK1ALDH1A1POLBTSHRSMN1; SMN2
SCHEMBL7383650 0.77 TSHR (0.69) ALDH1A1TSHRKMT2ASMN1; SMN2RAB9A
SCHEMBL14121833 0.74 TSHR (0.66) ALDH1A1TSHRKMT2ASMN1; SMN2RAB9A
SCHEMBL30231919 0.73 RAB9A (0.60) ALDH1A1POLBTSHRKMT2ASMN1; SMN2
SCHEMBL7345208 0.73 RAB9A (0.61) ALDH1A1TSHRKMT2ASMN1; SMN2RAB9A
SCHEMBL7339688 0.73 RAB9A (0.60) MAPK1ALDH1A1TSHRKMT2ASMN1; SMN2
SCHEMBL4175190 0.72 NR1H3 (0.49) ALDH1A1NR1H3KMT2AL3MBTL1DRD2

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-0832061-B1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 2001-09-05 EP disclosed
US-6054457-A Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-04-25 US disclosed
WO-1996041795-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-12-27 WO disclosed