SCHEMBL10399529

SCHEMBL10399529

CCCCCCCCNC(=O)C(Cl)CCl

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 9/20 0.53
ALDH1A2 O94788 1/20 0.53
ALDH1A1 P00352 1/20 0.53
ALDH2 P05091 1/20 0.53
ALDH1A3 P47895 1/20 0.53
FNTA P49354 1/20 0.53
FNTB P49356 1/20 0.53
DPP7 Q9UHL4 2/20 0.51
RRM1 P23921 1/20 0.51
GNAI3 P08754 1/20 0.49
GNAO1 P09471 1/20 0.49
GNAI1 P63096 1/20 0.49
MMP8 P22894 1/20 0.49
CASP2 P42575 1/20 0.48
NAAA Q02083 2/20 0.47
FAAH O00519 1/20 0.47

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
SCHEMBL10400683 1.00 EPHX1 (0.53) EPHX1ALDH1A2ALDH1A1ALDH2ALDH1A3
SCHEMBL8926651 0.92 ALDH1A2 (0.47) EPHX1ALDH1A2ALDH1A1ALDH2ALDH1A3
SCHEMBL10579232 0.85 GNAI3 (0.57) EPHX1ALDH1A2ALDH1A1ALDH2ALDH1A3
SCHEMBL28077769 0.85 DPP7 (0.55) EPHX1ALDH1A2ALDH1A1ALDH2ALDH1A3
SCHEMBL6461481 0.84 USP2 (0.41) EPHX1ALDH1A2ALDH1A1ALDH2ALDH1A3
SCHEMBL11059038 0.81 EPHX1 (0.57) EPHX1ALDH1A2ALDH1A1ALDH2ALDH1A3
SCHEMBL11391334 0.81 EPHX1 (0.48) EPHX1ALDH1A2ALDH1A1ALDH2ALDH1A3
SCHEMBL10582378 0.80 SLC22A1 (0.42) EPHX1ALDH1A1FAAH
SCHEMBL14553980 0.79 EPHX1 (0.59) EPHX1FNTAFNTBDPP7RRM1
SCHEMBL11066731 0.79 DPP7 (0.56) EPHX1ALDH1A2ALDH1A1ALDH2ALDH1A3

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-4935527-A SEPARATION FROM IMPURITIES BY ION EXCHANGING ON A CATIONIC EXCHANGER BED RESEARCH ASSOCIATION FOR UTILIZATION OF LIGHT OIL (JP) 1990-06-19 US disclosed
EP-0191462-A1 Purification of aziridine-2-carboxylic acid salts RESEARCH ASSOCIATION FOR UTILIZATION OF LIGHT OIL (JP) 1986-08-20 EP disclosed