SCHEMBL9660650

SCHEMBL9660650

CCCCCCCCCCCCCCCCCCN1CCSC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 6/20 0.47
GNAO1 P09471 6/20 0.47
GNAI1 P63096 6/20 0.47
GUSB P08236 2/20 0.41
EBP Q15125 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
ALDH1A1 P00352 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
FAAH O00519 1/20 0.38
MGLL Q99685 1/20 0.38
TP53 P04637 1/20 0.38
HSP90AA1 P07900 1/20 0.38
CYP3A4 P08684 1/20 0.38
G6PD P11413 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
HIF1A Q16665 1/20 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
SCHEMBL11104958 1.00 GNAI3 (0.47) GNAI3GNAO1GNAI1GUSBEBP
SCHEMBL11108890 1.00 GNAI3 (0.47) GNAI3GNAO1GNAI1GUSBEBP
SCHEMBL9628389 1.00 GNAI3 (0.47) GNAI3GNAO1GNAI1GUSBEBP
SCHEMBL1920038 0.98 GNAI3 (0.44) GNAI3GNAO1GNAI1GUSBEBP
SCHEMBL15187046 0.91
SCHEMBL17526500 0.87 GNAO1 (0.55) GNAI3GNAO1GNAI1GUSBEBP
SCHEMBL8431187 0.87 GNAO1 (0.55) GNAI3GNAO1GNAI1GUSBEBP
SCHEMBL22222479 0.87 GNAO1 (0.55) GNAI3GNAO1GNAI1GUSBEBP
SCHEMBL10584652 0.87 GNAO1 (0.55) GNAI3GNAO1GNAI1GUSBEBP
SCHEMBL15921159 0.87 GNAO1 (0.55) GNAI3GNAO1GNAI1GUSBEBP

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-5110585-A Hair and skin conditioners ISP INVESTMENTS INC. (US) 1992-05-05 US disclosed