SCHEMBL6417463

SCHEMBL6417463

CCCCCCCCCCCCCCCc1cc(=O)oc2cc(N(C)C)ccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.60
▸ GAA P10253 4/20 0.60
▸ ERAP1 Q9NZ08 1/20 0.60
▸ KDM4E B2RXH2 11/20 0.53
▸ HSD17B3 P37058 2/20 0.52
▸ HPGD P15428 7/20 0.50
▸ HSD17B10 Q99714 4/20 0.50
▸ CYP2D6 P10635 3/20 0.50
▸ CYP1A2 P05177 2/20 0.50
▸ CYP2C9 P11712 2/20 0.50
▸ CYP2C19 P33261 2/20 0.50
▸ MAPT P10636 5/20 0.49
▸ IGLV6-57 P01721 3/20 0.48
▸ GLA P06280 3/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ CASP1 P29466 2/20 0.46
▸ CASP7 P55210 2/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ L3MBTL1 Q9Y468 2/20 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
SCHEMBL6689431 0.84 HSD17B3 (0.62) ALDH1A1GAAERAP1KDM4EHSD17B3
SCHEMBL6688161 0.82 ALDH1A1 (0.64) ALDH1A1GAAERAP1KDM4EHSD17B3
SCHEMBL8594946 0.81 SRC (0.64) ALDH1A1GAAERAP1KDM4EHSD17B3
SCHEMBL8593488 0.81 SRC (0.64) ALDH1A1GAAERAP1KDM4EHSD17B3
SCHEMBL29558522 0.81 ALDH1A1 (0.89) ALDH1A1GAAERAP1KDM4EHSD17B3
SCHEMBL592465 0.81 ALDH1A1 (0.89) ALDH1A1GAAERAP1KDM4EHSD17B3
SCHEMBL8597998 0.81 SRC (0.64) ALDH1A1GAAERAP1KDM4EHSD17B3
SCHEMBL22632229 0.80 SLC18A1 (0.50) ALDH1A1GAAERAP1KDM4EHSD17B3
SCHEMBL3127680 0.80 ALDH1A1 (0.64) ALDH1A1GAAERAP1KDM4EHSD17B3
SCHEMBL24983388 0.79 HSD17B3 (0.59) ALDH1A1GAAERAP1KDM4EHSD17B3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050274055-A1 Color-changing fishing equipment PURE FISHING, INC. 2005-12-15 — — US disclosed
EP-0590145-B1 FIBER OPTIC SENSOR AND METHODS FOR DETECTING AN ORGANIC ANALYTE IN A FLUID OR VAPOR SAMPLE TUFTS COLLEGE (US) 1998-09-02 — — EP disclosed
US-5512490-A SUPPORT, ARRAY OF HETEROGENEOUS SEMISELECTIVE THIN FILMS WHICH FUNCTION AS SENSING RECEPTOR UNITS TRUSTEES OF TUFTS COLLEGE (US) 1996-04-30 — — US disclosed
EP-0590145-A4 FIBER OPTIC SENSOR, APPARATUS, AND METHODS FOR DETECTING AN ORGANIC ANALYTE IN A FLUID OR VAPOR SAMPLE TUFTS COLLEGE (US) 1994-08-24 — — EP disclosed
EP-0590145-A1 FIBER OPTIC SENSOR AND METHODS FOR DETECTING AN ORGANIC ANALYTE IN A FLUID OR VAPOR SAMPLE THE TRUSTEES OF TUFTS COLLEGE (US) 1994-04-06 — — EP disclosed
WO-1993021513-A1 FIBER OPTIC SENSOR, APPARATUS, AND METHODS FOR DETECTING AN ORGANIC ANALYTE IN A FLUID OR VAPOR SAMPLE TRUSTEES OF TUFTS COLLEGE (US) 1993-10-28 — — WO disclosed
US-5244813-A Fiber optic sensor, apparatus, and methods for detecting an organic analyte in a fluid or vapor sample TRUSTEES OF TUFTS COLLEGE (US) 1993-09-14 — — US disclosed
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