SCHEMBL18891985

SCHEMBL18891985

Cc1cc2ccc(CCC3(O)CCCC3)cc2c(-c2ccc(Cl)cc2)c1C(C)OC(C)(C)C

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 1/20 0.31

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
SCHEMBL15165215 0.88 PSIP1 (0.36) PSIP1
SCHEMBL1699609 0.88 PSIP1 (0.43) PSIP1
SCHEMBL18892111 0.83 KCNH2 (0.32) PSIP1
SCHEMBL18891798 0.77 PSIP1 (0.34) PSIP1
SCHEMBL18892337 0.74 KMT2A (0.35)
SCHEMBL15153934 0.74 PSIP1 (0.37) PSIP1
SCHEMBL18892354 0.73 CYP3A4 (0.32)
SCHEMBL15165213 0.72 PSIP1 (0.37) PSIP1
SCHEMBL1699418 0.72 PSIP1 (0.44) PSIP1
SCHEMBL18892272 0.72 CYP3A4 (0.33) PSIP1

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