SCHEMBL13706014

SCHEMBL13706014

CC1(C)c2cc(-c3ccc(C=O)s3)ccc2-c2ccc(-c3ccc(C=O)s3)cc21

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 3/20 0.53
▸ PRF1 P14222 8/20 0.51
▸ MAPT P10636 1/20 0.46
▸ CYP2E1 P05181 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2A6 P11509 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2B6 P20813 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ APP P05067 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ DPP4 P27487 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
SCHEMBL16532888 0.97 PGR (0.51) PGRPRF1MAPTCYP2E1CYP3A4
SCHEMBL20043837 0.97 PGR (0.51) PGRPRF1MAPTCYP2E1CYP3A4
SCHEMBL18032747 0.87 PGR (0.44) PGRPRF1MAPTCYP2E1CYP3A4
SCHEMBL20043828 0.83 PGR (0.41) PGRPRF1MAPTCYP2E1CYP3A4
SCHEMBL2394968 0.82 APP (0.48) PGRPRF1MAPTCYP2E1CYP3A4
SCHEMBL14666145 0.80 APP (0.41) PGRPRF1MAPTCYP2E1CYP3A4
SCHEMBL13931311 0.80 APP (0.58) PGRPRF1MAPTCYP2E1CYP3A4
SCHEMBL18546224 0.78 PRF1 (0.65) PGRPRF1MAPTCYP2E1CYP3A4
SCHEMBL15592649 0.77 PRF1 (0.43) PGRPRF1MAPTCYP2E1CYP3A4
SCHEMBL13705997 0.76 PGR (0.34) PGRPRF1APP

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-7589166-B2 Thiophene-containing compound and polymer thereof FUJI XEROX CO., LTD. (JP) 2009-09-15 — — US disclosed
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