SCHEMBL9705770

SCHEMBL9705770

O=C(O)CCCCc1ccco1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.52
RXFP1 Q9HBX9 1/20 0.52
ALDH1A1 P00352 6/20 0.50
TDP1 Q9NUW8 2/20 0.50
CYP3A4 P08684 1/20 0.50
ALOX15 P16050 1/20 0.50
USP2 O75604 1/20 0.50
HPGD P15428 1/20 0.50
KDM4E B2RXH2 4/20 0.47
HSD17B10 Q99714 3/20 0.47
PKM P14618 1/20 0.47
MAPK1 P28482 2/20 0.46
HDAC3 O15379 1/20 0.46
ADRA1A P35348 1/20 0.46
HDAC4 P56524 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HDAC1 Q13547 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46

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
SCHEMBL16124206 0.98 MAPT (0.55) MAPTRXFP1ALDH1A1TDP1CYP3A4
SCHEMBL11722021 0.98 MAPT (0.55) MAPTRXFP1ALDH1A1TDP1CYP3A4
SCHEMBL11460690 0.98 MAPT (0.55) MAPTRXFP1ALDH1A1TDP1CYP3A4
SCHEMBL11912385 0.98 MAPT (0.55) MAPTRXFP1ALDH1A1TDP1CYP3A4
SCHEMBL8093637 0.98 MAPT (0.55) MAPTRXFP1ALDH1A1TDP1CYP3A4
SCHEMBL8091454 0.98 MAPT (0.55) MAPTRXFP1ALDH1A1TDP1CYP3A4
SCHEMBL2199125 0.94 MAPK1 (0.52) MAPTRXFP1ALDH1A1TDP1CYP3A4
Hydrochloric Acid SCHEMBL11635247 0.93 MAPK1 (0.50) MAPTRXFP1ALDH1A1TDP1CYP3A4
SCHEMBL30692340 0.87 EPHX2 (0.58) MAPTALDH1A1TDP1CYP3A4ALOX15
SCHEMBL236223 0.86 ALDH1A1 (0.54) MAPTALDH1A1TDP1ALOX15USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5077411-A Antiallergens, antiinflammatory agents; cardiovascular disorders, migraines, psoriasis WARNER-LAMBERT CO. (US) 1991-12-31 US claimed
EP-0094951-B1 NEW PROSTACYCLINS AND PREPARATION METHOD THEREOF SCHERING AKTIENGESELLSCHAFT (DE) 1985-10-30 EP claimed
CN-108473484-B Compounds useful as TRPM8 modulators 弗门尼舍公司 2021-06-29 CN disclosed
CN-105198930-B The technetium-99 m labeled long-chain fatty acid derivative of three carbonyl of bipyridines and its application 北京师范大学 2018-10-09 CN disclosed
CN-108473484-A Compounds useful as TRPM8 modulators 赛诺米克斯公司 2018-08-31 CN disclosed
CN-102707570-B Photosensitive resin composition, spacer and liquid crystal display element containing the same CHI MEI CORP 2014-08-06 CN disclosed
CN-102707570-A Photosensitive resin composition, spacer and liquid crystal display element containing the same CHI MEI CORP 2012-10-03 CN disclosed
EP-0207454-B1 ISOXAZOLE AND FURAN DERIVATIVES, THEIR PREPARATION AND USE AS ANTIVIRAL AGENTS STERLING WINTHROP INC. (US) 1992-09-09 EP disclosed
US-4861791-A Dihydro-oxazolyl substituted-phenyl-aliphatic lower alkyl and their use as antiviral agents STERLING DRUG INC. (US) 1989-08-29 US disclosed
EP-0207454-A2 Isoxazole and furan derivatives, their preparation and use as antiviral agents STERLING WINTHROP INC. (US) 1987-01-07 EP disclosed