SCHEMBL9507818

SCHEMBL9507818

CCCCCCCCOC(C)CCC(C)Oc1ccc(-c2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RARB P10826 9/20 0.65
TP53 P04637 1/20 0.58
TSHR P16473 1/20 0.58
PLA2G4B P0C869 6/20 0.57
PLA2G4A P47712 1/20 0.55
PTPN11 Q06124 2/20 0.52
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
RARA P10276 1/20 0.50
MAPT P10636 1/20 0.50
MTOR P42345 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL9507826 1.00 RARB (0.65) RARBTP53TSHRPLA2G4BPLA2G4A
SCHEMBL9507377 0.96 RARB (0.58) RARBTP53TSHRPLA2G4BPLA2G4A
SCHEMBL9507371 0.96 RARB (0.58) RARBTP53TSHRPLA2G4BPLA2G4A
SCHEMBL9508656 0.96 RARB (0.58) RARBTP53TSHRPLA2G4BPLA2G4A
SCHEMBL9507432 0.91 RARB (0.52) RARBTP53TSHRPLA2G4BPLA2G4A
SCHEMBL8082284 0.90 RARB (0.63) RARBTP53TSHRPLA2G4BPLA2G4A
SCHEMBL8082310 0.90 RARB (0.63) RARBTP53TSHRPLA2G4BPLA2G4A
SCHEMBL8194653 0.90 RARB (0.63) RARBTP53TSHRPLA2G4BPLA2G4A
SCHEMBL8532922 0.90 RARB (0.63) RARBTP53TSHRPLA2G4BPLA2G4A
Hydrochloric Acid SCHEMBL10455057 0.88 RARB (0.62) RARBTP53TSHRPLA2G4BPLA2G4A

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-0388960-B1 OPTICALLY ACTIVE COMPOUNDS AND THEIR PREPARATION AND USE HITACHI, LTD. (JP) 1993-10-06 EP disclosed
US-5152919-A Stability, chemical resistance, high speed response, large spo ntaneous polarization, molecular orientation and wide temperat ure range HITACHI, LTD. (JP) 1992-10-06 US disclosed
EP-0388960-A1 Optically active compounds and their preparation and use HITACHI, LTD. (JP) 1990-09-26 EP disclosed