SCHEMBL7735829

SCHEMBL7735829

CCCCc1ccc(C(=O)Oc2ccc(Br)c(F)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PRSS1 P07477 2/20 0.43
ACR P10323 2/20 0.43
THRB P10828 5/20 0.43
RARB P10826 2/20 0.43
PLK1 P53350 2/20 0.43
THRA P10827 3/20 0.42
KMT2A Q03164 2/20 0.41
CCR6 P51684 1/20 0.41
HKDC1 Q2TB90 1/20 0.41
ESR1 P03372 1/20 0.40
TP53 P04637 1/20 0.40
PLK3 Q9H4B4 1/20 0.40

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
SCHEMBL15693578 0.86 MAPT (0.48) MAPTSMN1; SMN2PRSS1ACRTHRB
SCHEMBL16435270 0.84 RARB (0.47) MAPTSMN1; SMN2THRBRARBPLK1
Fluoride SCHEMBL9841672 0.84 MAPT (0.43) MAPTSMN1; SMN2PRSS1ACRTHRB
SCHEMBL9841677 0.83 MAPT (0.43) MAPTSMN1; SMN2PRSS1ACRTHRB
SCHEMBL9641055 0.82 PRSS1 (0.59) MAPTSMN1; SMN2PRSS1ACRTHRB
SCHEMBL15693581 0.82 MAPT (0.49) MAPTSMN1; SMN2PRSS1ACRTHRB
SCHEMBL11036899 0.82 CNR2 (0.47) MAPTSMN1; SMN2PRSS1ACRTHRB
SCHEMBL7210214 0.82 THRB (0.58) MAPTSMN1; SMN2PRSS1ACRTHRB
SCHEMBL778221 0.82 THRB (0.58) MAPTSMN1; SMN2PRSS1ACRTHRB
SCHEMBL7951967 0.82 THRB (0.58) MAPTSMN1; SMN2PRSS1ACRTHRB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6485799-B1 Aniline derivatives, liquid-crystal composition containing the same, and liquid-crystal display element CHISSO CORPORATION (JP) 2002-11-26 US disclosed