SCHEMBL9649846

SCHEMBL9649846

CCCCCCC(C)Oc1ccc(C(C)=O)cc1Br

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
MAPT P10636 1/20 0.42
FAAH O00519 1/20 0.41
ALDH1A1 P00352 4/20 0.40
TSHR P16473 1/20 0.40
CREBBP Q92793 1/20 0.39
ESR1 P03372 1/20 0.39
SMPD1 P17405 3/20 0.38
HIF1A Q16665 1/20 0.38
PTPN11 Q06124 1/20 0.38
PDE4A P27815 2/20 0.38
PDE4B Q07343 2/20 0.38
PDE4C Q08493 2/20 0.38
PDE4D Q08499 2/20 0.38

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
SCHEMBL9647803 0.90 PTPN11 (0.46) THRATHRBMAPTFAAHALDH1A1
SCHEMBL9651201 0.83 PTPN11 (0.57) MAPTALDH1A1PTPN11PDE4APDE4B
SCHEMBL9649896 0.81 ALDH1A1 (0.56) MAPTALDH1A1
SCHEMBL13029245 0.81 MAPT (0.41) THRATHRBMAPTALDH1A1ESR1
SCHEMBL8363894 0.79 THRA (0.45) THRAALDH1A1TSHR
SCHEMBL8362473 0.79 THRA (0.45) THRAALDH1A1TSHR
SCHEMBL10527333 0.79 RARB (0.49) THRATHRBMAPTTSHRPTPN11
SCHEMBL12286950 0.79 RARB (0.49) THRATHRBMAPTTSHRPTPN11
SCHEMBL9149901 0.78 MAPT (0.49) THRATHRBMAPTALDH1A1PTPN11
SCHEMBL9510882 0.78 PDE4A (0.44) THRATHRBMAPTALDH1A1PTPN11

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-0267670-B1 OPTICALLY ACTIVE LIQUID CRYSTAL COMPOUND HAVING CYANO GROUP Chisso Corporation (JP) 1992-12-23 EP disclosed
US-4886622-A Optically active liquid crystal compound having cyano group CHISSO CORPORATION (JP) 1989-12-12 US disclosed
EP-0267670-A1 Optically active liquid crystal compound having cyano group Chisso Corporation (JP) 1988-05-18 EP disclosed