SCHEMBL9516260

SCHEMBL9516260

Cc1cc(C(c2ccccc2)c2cc(C)cc(C(C)(C)C)c2OP(O)F)c(OP(O)F)c(C(C)(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 4/20 0.36
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CA2 P00918 1/20 0.33
POLB P06746 1/20 0.33
TYR P14679 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL9356115 0.81 SMN1; SMN2 (0.38) CYP3A4CYP2C9CYP2C19ALDH1A1CA2
SCHEMBL5170392 0.75 CA2 (0.53) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL17565190 0.73 HTR1A (0.34) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL9356369 0.71 HSPA5 (0.51) CYP3A4CYP2C9CYP2C19ALDH1A1CA2
SCHEMBL9356422 0.71 SMN1; SMN2 (0.39) CYP3A4CYP2C9TSHRCYP2C19ALDH1A1
SCHEMBL10659785 0.70 CYP1A2 (0.38) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL11300513 0.70 ALDH1A1 (0.39) TACR1CYP1A2CYP3A4CYP2C9TSHR
SCHEMBL11820861 0.68 CA2 (0.52) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL8394952 0.67 CA2 (0.45) TSHRALDH1A1CA2
SCHEMBL187988 0.67 CYP1A2 (0.35) CYP1A2CYP3A4CYP2C9TSHRCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0301355-B1 Aqueous aryl fluorophosphite suspension ETHYL CORP (US) 1993-12-29 EP disclosed
US-4867907-A POLYMER STABILIZERS ETHYL CORPORATION (US) 1989-09-19 US disclosed
EP-0301355-A2 Aqueous aryl fluorophosphite suspension ETHYL CORPORATION (US) 1989-02-01 EP disclosed