SCHEMBL9744624

SCHEMBL9744624

CC1(C)CCc2ccccc2C(c2ccc(F)cc2)=C1/C=C/[C@@H]1C[C@@H](O)CC(=O)O1

nearest known ligand 0.54

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 9/20 0.54

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
SCHEMBL9745036 1.00 HMGCR (0.54) HMGCR
SCHEMBL9745032 1.00 HMGCR (0.54) HMGCR
SCHEMBL9744513 0.90 HMGCR (0.49) HMGCR
SCHEMBL9744505 0.90 HMGCR (0.49) HMGCR
SCHEMBL9744517 0.90 HMGCR (0.49) HMGCR
SCHEMBL9577594 0.83 HMGCR (0.50) HMGCR
SCHEMBL9577592 0.83 HMGCR (0.50) HMGCR
SCHEMBL9845323 0.83 HMGCR (0.55) HMGCR
SCHEMBL9845321 0.83 HMGCR (0.55) HMGCR
SCHEMBL10408903 0.82 HMGCR (0.54) HMGCR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5114964-A Aryl-substituted benzocycloalkyl-derived anti-atherosclerotic agents RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1992-05-19 US claimed
US-5114964-A Aryl-substituted benzocycloalkyl-derived anti-atherosclerotic agents RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1992-05-19 US disclosed