SCHEMBL18892404

SCHEMBL18892404

Cc1cc2cc(F)c(F)cc2c(-c2ccc3c4c(ccnc24)CCO3)c1[C@H](C=O)OC(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.56

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
SCHEMBL18892033 0.88 CYP3A4 (0.54) CYP3A4
SCHEMBL18892390 0.87 CYP3A4 (0.71) CYP3A4
SCHEMBL1699573 0.87 CYP3A4 (0.71) CYP3A4
SCHEMBL1699612 0.87 CYP3A4 (0.71) CYP3A4
SCHEMBL15165231 0.87 CYP3A4 (0.64) CYP3A4
SCHEMBL15165237 0.87 CYP3A4 (0.64) CYP3A4
SCHEMBL10271709 0.84 CYP3A4 (0.71) CYP3A4
SCHEMBL18892329 0.84 CYP3A4 (0.71) CYP3A4
SCHEMBL15165239 0.83 CYP3A4 (0.64) CYP3A4
SCHEMBL26076728 0.82 CYP3A4 (0.77) CYP3A4

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-2588450-B1 NAPHT-2-YLACETIC ACID DERIVATIVES TO TREAT AIDS GILEAD SCIENCES INC (US) 2017-05-24 — — EP disclosed
Send feedback