SCHEMBL9729696

SCHEMBL9729696

CCCCCCOc1ccc2c(c1)C=C(C=O)CO2

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.58
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
MTNR1A P48039 2/20 0.40
MTNR1B P49286 1/20 0.40
MAOB P27338 1/20 0.40
NR5A1 Q13285 1/20 0.38
TSHR P16473 2/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL7202221 0.99 ALOX5 (0.56) ALOX5THRATHRBMTNR1AMTNR1B
SCHEMBL9729572 0.81 ALOX5 (0.60) ALOX5MAOB
SCHEMBL8627404 0.79 MAOB (0.57) ALOX5MTNR1AMAOBTP53
SCHEMBL27463101 0.79 ALOX5 (0.55) ALOX5THRATHRBMTNR1AMTNR1B
Formamide SCHEMBL9729689 0.78 ALOX5 (0.63) ALOX5MTNR1AMTNR1B
SCHEMBL7198793 0.78 ALOX5 (0.66) ALOX5MTNR1ATSHR
SCHEMBL7200474 0.78 ALOX5 (0.63) ALOX5THRATHRBMTNR1A
SCHEMBL7203574 0.78 ALOX5 (0.66) ALOX5MTNR1AMTNR1BNR5A1
SCHEMBL27461740 0.78 ALOX5 (0.54) ALOX5THRATHRBMTNR1AMTNR1B
SCHEMBL9729518 0.77 ALOX5 (0.59) ALOX5MAOB

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-5155130-A Lipoxygenase inhibitors CIBA-GEIGY CORPORATION (US) 1992-10-13 US disclosed
EP-0412939-A2 Certain benzopyran and benzothiopyran derivatives CIBA-GEIGY AG (CH) 1991-02-13 EP disclosed