SCHEMBL10153442

SCHEMBL10153442

CCCCCCCCCCOc1cccc(-c2c(C)ccc3c(-c4ccc(C)cc4)c(C)ccc23)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ SMPD1 P17405 3/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP19A1 P11511 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ THRA P10827 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ DHFR P00374 2/20 0.41
▸ FFAR4 Q5NUL3 1/20 0.40
▸ PLA2G4B P0C869 2/20 0.40
▸ PTPN11 Q06124 1/20 0.40
▸ ICMT O60725 2/20 0.39
▸ GGPS1 O95749 1/20 0.39

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
SCHEMBL862612 0.94 TSHR (0.52) TSHRSMN1; SMN2SMPD1CYP1A2CYP19A1
SCHEMBL10153448 0.87 NR5A1 (0.49) TSHRCYP19A1CYP2C9CYP2C19PLA2G4B
SCHEMBL862394 0.82 NR5A1 (0.53) TSHRCYP19A1CYP2C9CYP2C19PLA2G4B
SCHEMBL2151432 0.78 TSHR (0.69) TSHRSMN1; SMN2SMPD1CYP1A2CYP19A1
SCHEMBL17143201 0.78 TSHR (0.69) TSHRSMN1; SMN2SMPD1CYP1A2CYP19A1
SCHEMBL17142884 0.78 TSHR (0.69) TSHRSMN1; SMN2SMPD1CYP1A2CYP19A1
SCHEMBL10153445 0.78 NR5A1 (0.47) TSHRCYP19A1CYP2C9CYP2C19PLA2G4B
SCHEMBL18655581 0.77 TSHR (0.59) TSHRSMN1; SMN2SMPD1CYP1A2CYP19A1
SCHEMBL18655582 0.77 TSHR (0.59) TSHRSMN1; SMN2SMPD1CYP1A2CYP19A1
SCHEMBL12252235 0.76 NR5A1 (0.46) TSHRCYP19A1CYP2C9CYP2C19PLA2G4B

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-20120008068-A1 POLYMER COMPOUND AND POLYMER LIGHT-EMITTING DEVICE USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-01-12 — — US disclosed
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