SCHEMBL7958575

SCHEMBL7958575

CCCCOCCOc1ccc(-c2ccc3c(c2)C=C(C(=O)O)CCS3(=O)=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RARB P10826 7/20 0.53
RARA P10276 1/20 0.53
CCR5 P51681 9/20 0.38
CCR7 P32248 1/20 0.36
CCR2 P41597 1/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 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
SCHEMBL7247416 0.95 RARB (0.46) RARBRARACCR5TSHR
SCHEMBL7972262 0.95 RARB (0.45) RARBRARATP53TSHR
SCHEMBL7958827 0.92 RARB (0.42) RARBRARA
SCHEMBL7252964 0.91 RARB (0.40) RARBRARATSHR
SCHEMBL7931697 0.87 RXRA (0.41) CCR5
SCHEMBL7975157 0.85 RARB (0.40) RARBRARACCR5CCR7CCR2
SCHEMBL7222487 0.85 RARB (0.38) RARBRARATP53TSHR
SCHEMBL7928473 0.85 ALPL (0.43) RARBRARA
SCHEMBL7249525 0.85 RARB (0.39) RARBRARACCR5
SCHEMBL7215961 0.83 HRH3 (0.39) RARBRARA

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-6235771-B1 AIDS THERPAY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-22 US disclosed