SCHEMBL9688997

SCHEMBL9688997

Cc1ccc(C(C)CCCl)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.41
TRPA1 O75762 1/20 0.38
LMNA P02545 1/20 0.38
CHRM1 P11229 1/20 0.38
SLC6A2 P23975 1/20 0.38
ADRA1A P35348 1/20 0.38
HTR2B P41595 1/20 0.38
CASR P41180 1/20 0.36
ALDH1A1 P00352 4/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TP53 P04637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MAPT P10636 3/20 0.33
THRB P10828 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL19775441 0.81 SRC (0.40) SRCTRPA1LMNACHRM1SLC6A2
SCHEMBL15919018 0.81 SRC (0.41) SRCTRPA1LMNACHRM1SLC6A2
SCHEMBL28263806 0.78 TSHR (0.42) SRCTRPA1LMNACHRM1SLC6A2
SCHEMBL20738712 0.76 TRPA1 (0.45) SRCTRPA1LMNACHRM1SLC6A2
SCHEMBL19985073 0.76 ESR1 (0.43) LMNACHRM1SLC6A2ADRA1AHTR2B
SCHEMBL22416799 0.76 ESR1 (0.43) LMNACHRM1SLC6A2ADRA1AHTR2B
SCHEMBL9090921 0.76 TRPA1 (0.37) SRCTRPA1LMNACHRM1SLC6A2
SCHEMBL5483548 0.76 CASR (0.38) SRCTRPA1LMNACHRM1SLC6A2
SCHEMBL6547130 0.75 NR3C1 (0.50) LMNAALDH1A1HTTSMN1; SMN2TDP1
SCHEMBL28599084 0.74 KDM4E (0.40) SRCTRPA1LMNACHRM1SLC6A2

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-5136114-A PROCESS FOR THE PREPARATION OF GEMINAL DIARYLALKANES, NEW GEMINAL DIARYLALKANES AND ALK(EN)YLATED AROMATIC COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 1992-08-04 US disclosed