SCHEMBL8661981

SCHEMBL8661981

CCCC(=O)Oc1ccc(C#Cc2ccc3c(c2)C(SCC)(SCC)CCO3)s1

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.30

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
SCHEMBL7817655 0.91 ACACB (0.32)
SCHEMBL8659641 0.85
SCHEMBL9136509 0.85 RARB (0.36) HPGD
SCHEMBL8659481 0.82 PRSS1 (0.34) HPGD
SCHEMBL8664184 0.82 CYP3A4 (0.33) HPGD
SCHEMBL8846542 0.81 ALDH1A1 (0.33)
SCHEMBL7651211 0.81 CYP26A1 (0.37)
SCHEMBL8662239 0.80 CYP3A4 (0.35)
SCHEMBL8662230 0.79 CYP3A4 (0.36)
SCHEMBL8865300 0.79 AKR1B1 (0.34)

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-5750693-A THIOCHROMANYL OR CHROMANYL COMPOUNDS AS ANTICARCINOGINIC AGENTS, SKIN DISORDERS AND ATHEROSCLEROSIS ALLERGAN (US) 1998-05-12 US disclosed
US-5677451-A CONTROLLING CELL DIFFERENTIATION; SKIN DISORDERS; ANTICANCER AGENTS ALLERGAN (US) 1997-10-14 US disclosed