SCHEMBL9779733

SCHEMBL9779733

Fc1ccc(-c2ccccc2)c(-c2ccccc2)c1C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 1/20 0.40
▸ ADORA3 P0DMS8 2/20 0.40
▸ ADORA2B P29275 2/20 0.40
▸ ADORA1 P30542 2/20 0.40
▸ ADORA2A P29274 1/20 0.40
▸ ABCB1 P08183 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ CASP3 P42574 1/20 0.40
▸ SENP7 Q9BQF6 1/20 0.40
▸ SENP6 Q9GZR1 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CYP3A4 P08684 2/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ APP P05067 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ TNK2 Q07912 1/20 0.36
▸ MAT2A P31153 1/20 0.35
▸ ALDH1A1 P00352 2/20 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
SCHEMBL27938196 0.76 ADORA3 (0.35) ADORA3ADORA2BADORA1ADORA2APOLB
SCHEMBL13685103 0.76 PTGS2 (0.49) PTGS2ADORA3ADORA2BADORA1ADORA2A
SCHEMBL31614124 0.76 ABCB1 (0.41) PTGS2ABCB1POLBCASP3SENP7
SCHEMBL28872288 0.75 ADORA3 (0.34) ADORA3ADORA2BADORA1ADORA2APOLB
SCHEMBL29097681 0.74 CYP3A4 (0.32) PTGS2ADORA3ADORA2BADORA1ADORA2A
SCHEMBL18808206 0.73 CYP3A4 (0.54) PTGS2ADORA3ADORA2BADORA1ADORA2A
SCHEMBL29266750 0.72 ABCB1 (0.40) ADORA3ADORA2BADORA1ADORA2AABCB1
SCHEMBL18949953 0.71 CYP3A4 (0.49) PTGS2TDP1CYP3A4CYP2C9APP
SCHEMBL2085259 0.71 ADORA3 (0.38) PTGS2ADORA3ADORA2BADORA1ADORA2A
SCHEMBL20115796 0.71 PTGS2 (0.44) PTGS2ADORA3ADORA2BADORA1ADORA2A

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-5061400-A WIDE TEMPERATURE RANGE, HIGH RESPONSE SPEED, LOW DRIVING VOLTAGE SEIKO EPSON CORPORATION (JP) 1991-10-29 — — US disclosed
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