SCHEMBL9007121

SCHEMBL9007121

C#Cc1cc(-c2ccc3c(c2)SCCC3(C)C)ccc1C(=O)OCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 10/20 0.43
RARB P10826 10/20 0.43
RARG P13631 7/20 0.43
KMT2A Q03164 2/20 0.43
CYP3A4 P08684 1/20 0.43
RAB9A P51151 3/20 0.36
NPC1 O15118 3/20 0.36
MAPT P10636 3/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 2/20 0.36
ALOX15 P16050 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HSD17B10 Q99714 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
CASP3 P42574 1/20 0.35
ATM Q13315 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35

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
SCHEMBL9007048 0.84 RARA (0.37) RARARARBRARGKMT2ACYP3A4
SCHEMBL9333837 0.84 NPC1 (0.45) RARARARBRARGKMT2ACYP3A4
SCHEMBL8671303 0.78 NPC1 (0.39) RARARARBRARGKMT2ARAB9A
SCHEMBL8668859 0.78 RARA (0.37) RARARARBRARGKMT2ARAB9A
SCHEMBL5471517 0.77 RARA (0.49) RARARARBRARGKMT2ACYP3A4
SCHEMBL9006978 0.76 NPC1 (0.34) RARARARBRARGKMT2ARAB9A
SCHEMBL9007007 0.75 RXRA (0.35) RARARARBRARGKMT2ACYP3A4
SCHEMBL8866206 0.74 HDAC3 (0.41) RARBRARGKMT2ARAB9ANPC1
SCHEMBL9023693 0.73 NPC1 (0.36) RARARARBRARGKMT2ARAB9A
SCHEMBL9817900 0.73 RARA (0.47) RARARARBRARGKMT2ACYP3A4

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
EP-0571546-B1 CHROMAN AND THIOCHROMANS WITH PHENYLETHYNYL SUBSTITUENTS AT THE 7-POSITION HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY ALLERGAN INC (US) 1996-10-16 EP disclosed
US-5346915-A Chromans and thiochromans with phenylethynyl substituents at the 7-position having retinold-like biological activity ALLERGAN, INC. (US) 1994-09-13 US disclosed