SCHEMBL9507976

SCHEMBL9507976

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

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 12/20 0.70
ALDH1A1 P00352 2/20 0.70
RARA P10276 2/20 0.70
MEN1 O00255 1/20 0.70
MAPT P10636 1/20 0.70
MTOR P42345 1/20 0.70
KMT2A Q03164 1/20 0.70
NPC1 O15118 1/20 0.53
NFKB1 P19838 1/20 0.53
RAB9A P51151 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
ESR1 P03372 2/20 0.53
ADRA2A P08913 2/20 0.53
ADORA3 P0DMS8 2/20 0.53
TACR2 P21452 2/20 0.53
SLC6A2 P23975 2/20 0.53
SLC6A4 P31645 2/20 0.53
SLC6A3 Q01959 2/20 0.53

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
SCHEMBL9507964 0.92 RARB (0.73) RARBALDH1A1RARAMEN1MAPT
SCHEMBL10391891 0.84 RARB (0.57) RARBALDH1A1RARAMEN1MAPT
SCHEMBL10490937 0.84 RARB (0.72) RARBALDH1A1RARAMEN1MAPT
SCHEMBL8526683 0.84 RARB (0.57) RARBALDH1A1RARAMEN1MAPT
SCHEMBL23484727 0.83 RARB (1.00) RARBALDH1A1RARAMEN1MAPT
SCHEMBL7542464 0.83 RARB (1.00) RARBALDH1A1RARAMEN1MAPT
SCHEMBL11113720 0.83 RARB (1.00) RARBALDH1A1RARAMEN1MAPT
SCHEMBL8536621 0.83 RARB (1.00) RARBALDH1A1RARAMEN1MAPT
SCHEMBL3088908 0.83 RARB (1.00) RARBALDH1A1RARAMEN1MAPT
SCHEMBL8531633 0.83 RARB (1.00) 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