SCHEMBL5566924

SCHEMBL5566924

CCc1ccc(P(O)(=S)c2ccc(CC)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
LPL P06858 1/20 0.43
LIPG Q9Y5X9 1/20 0.43
CYP2C19 P33261 1/20 0.42
ALDH1A1 P00352 1/20 0.41
SRC P12931 1/20 0.41
TP53 P04637 1/20 0.40
CA2 P00918 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39
PLAU P00749 1/20 0.39
CYP2A6 P11509 1/20 0.38
TRPA1 O75762 1/20 0.38
IDO1 P14902 2/20 0.38
PLK1 P53350 1/20 0.38
MGLL Q99685 1/20 0.38
EGFR P00533 1/20 0.36

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
SCHEMBL27335693 0.85 TAAR1 (0.52) SMN1; SMN2LPLLIPGCYP2C19ALDH1A1
SCHEMBL10782523 0.82 TP53 (0.46) SMN1; SMN2LPLLIPGCYP2C19ALDH1A1
SCHEMBL968796 0.76 LMNA (0.56) SMN1; SMN2LPLLIPGCYP2C19ALDH1A1
SCHEMBL344618 0.76 SMN1; SMN2 (0.52) SMN1; SMN2LPLLIPGCYP2C19ALDH1A1
SCHEMBL24129428 0.74 SMN1; SMN2 (0.55) SMN1; SMN2LPLLIPGCYP2C19ALDH1A1
SCHEMBL3399311 0.74 SMN1; SMN2 (0.50) SMN1; SMN2LPLLIPGCYP2C19ALDH1A1
Phosphoric Acid SCHEMBL28176643 0.74 SMN1; SMN2 (0.59) SMN1; SMN2LPLLIPGCYP2C19ALDH1A1
Ethylbenzene SCHEMBL5460199 0.73 TP53 (0.70) SMN1; SMN2LPLLIPGCYP2C19ALDH1A1
Ethylbenzene SCHEMBL5552776 0.73 TP53 (0.70) SMN1; SMN2LPLLIPGCYP2C19ALDH1A1
Hydrogen Peroxide SCHEMBL28370411 0.73 TP53 (0.69) SMN1; SMN2LPLLIPGALDH1A1TP53

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-1752550-A1 METHOD OF RECOVERING NICKEL AND COBALT Pacific Metals Co., Ltd. (JP) 2007-02-14 EP disclosed