SCHEMBL9816665

SCHEMBL9816665

CCC(c1ccccc1)(C(C)(C)Cl)C(C)(C)Cl

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
TAAR1 Q96RJ0 1/20 0.41
KCNN4 O15554 3/20 0.40
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 1/20 0.38
HIF1A Q16665 1/20 0.38
ALDH1A1 P00352 2/20 0.37
CYP1A2 P05177 1/20 0.37
ALOX15 P16050 1/20 0.37
ESR1 P03372 2/20 0.35
ESR2 Q92731 2/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
NR3C2 P08235 1/20 0.34

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
SCHEMBL9466232 0.89 TSHR (0.35) TSHRTAAR1KCNN4MAPK1CYP2C19
SCHEMBL10324871 0.81 TAAR1 (0.44) TSHRTAAR1KCNN4MAPK1CYP2C19
SCHEMBL825609 0.76 TSHR (0.48) TSHRTAAR1KCNN4MAPK1CYP2C19
SCHEMBL30788816 0.74 ALDH1A1 (0.46) TSHRTAAR1KCNN4MAPK1CYP2C19
SCHEMBL9466812 0.74 MAPK1 (0.41) TAAR1KCNN4MAPK1CYP2C19HIF1A
SCHEMBL23781410 0.73 TSHR (0.50) TSHRTAAR1KCNN4MAPK1CYP2C19
SCHEMBL28366627 0.73 TSHR (0.50) TSHRTAAR1KCNN4MAPK1CYP2C19
SCHEMBL6685341 0.73 TSHR (0.50) TSHRTAAR1KCNN4MAPK1CYP2C19
SCHEMBL474982 0.72 TAAR1 (0.50) TSHRTAAR1KCNN4MAPK1CYP2C19
SCHEMBL10464795 0.71 TSHR (0.48) TSHRTAAR1KCNN4MAPK1CYP2C19

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
EP-0451679-A2 Method of producing polymers NIPPON ZEON CO., LTD. (JP) 1991-10-16 EP disclosed