SCHEMBL9507964

SCHEMBL9507964

CCCCCCCCc1ccc(-c2cc(C(=O)O)ccc2-c2ccc(O)cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 12/20 0.73
ALDH1A1 P00352 2/20 0.66
RARA P10276 2/20 0.66
MEN1 O00255 1/20 0.66
MAPT P10636 1/20 0.66
MTOR P42345 1/20 0.66
KMT2A Q03164 1/20 0.66
ESR1 P03372 2/20 0.56
ADRA2A P08913 2/20 0.56
ADORA3 P0DMS8 2/20 0.56
TACR2 P21452 2/20 0.56
SLC6A2 P23975 2/20 0.56
SLC6A4 P31645 2/20 0.56
SLC6A3 Q01959 2/20 0.56
KDM4E B2RXH2 1/20 0.56
LMNA P02545 1/20 0.56
SHBG P04278 1/20 0.56
TP53 P04637 1/20 0.56
CYP3A4 P08684 1/20 0.56
HSPD1 P10809 1/20 0.56

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
SCHEMBL9507976 0.92 RARB (0.70) RARBALDH1A1RARAMEN1MAPT
SCHEMBL10490937 0.90 RARB (0.72) RARBALDH1A1RARAMEN1MAPT
SCHEMBL5065174 0.84 RARB (0.65) RARBALDH1A1RARAMEN1MAPT
SCHEMBL10774091 0.84 RARB (0.65) RARBALDH1A1RARAMEN1MAPT
SCHEMBL9394701 0.84 RARB (0.61) RARBALDH1A1RARAMEN1MAPT
SCHEMBL4330679 0.84 RARB (1.00) RARBALDH1A1RARAMEN1MAPT
SCHEMBL27595236 0.84 RARB (0.76) RARBALDH1A1RARAMEN1MAPT
SCHEMBL8526681 0.84 RARB (0.61) RARBALDH1A1RARAMEN1MAPT
SCHEMBL8025722 0.84 RARB (0.74) RARBALDH1A1RARAMEN1MAPT
Paraben SCHEMBL11510587 0.83 RARB (0.78) RARBALDH1A1RARAMEN1MAPT

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 2 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