SCHEMBL4528804

SCHEMBL4528804

CCCCCCCCCCCCCCCCCC(N)NC1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.44
EPHX1 P07099 9/20 0.42
EPHX2 P34913 2/20 0.42
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
OPRM1 P35372 1/20 0.39
METAP2 P50579 1/20 0.38
NAAA Q02083 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
SCHEMBL20540216 1.00 SIGMAR1 (0.44) SIGMAR1EPHX1EPHX2ALDH1A1KMT2A
SCHEMBL16949689 1.00 SIGMAR1 (0.44) SIGMAR1EPHX1EPHX2ALDH1A1KMT2A
SCHEMBL8949667 1.00 SIGMAR1 (0.44) SIGMAR1EPHX1EPHX2ALDH1A1KMT2A
SCHEMBL3138483 0.98 EPHX1 (0.41) SIGMAR1EPHX1EPHX2ALDH1A1KMT2A
SCHEMBL11097798 0.90 OPRM1 (0.43) OPRM1
SCHEMBL28080788 0.86 SMN1; SMN2 (0.39) SIGMAR1EPHX1EPHX2ALDH1A1
SCHEMBL24704673 0.83 SIGMAR1 (0.45) SIGMAR1EPHX1EPHX2ALDH1A1KMT2A
SCHEMBL11858592 0.83 SIGMAR1 (0.45) SIGMAR1EPHX1EPHX2ALDH1A1KMT2A
SCHEMBL8967551 0.83 SIGMAR1 (0.39) SIGMAR1EPHX1
SCHEMBL24704621 0.83 SIGMAR1 (0.45) SIGMAR1EPHX1EPHX2ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0331052-A2 Process for the preparation of imidized acrylic polymers ELF ATOCHEM ITALIA S.r.l. (IT) 1989-09-06 EP claimed
US-20090069203-A1 Heat reversible gel-like lubricating composition, process for producing the same, and bearing lubricant and bearing system using said composition PORITE CORPORATION (JP) 2009-03-12 US disclosed
EP-1803792-A1 HEAT REVERSIBLE GEL-LIKE LUBRICATING COMPOSITION, PROCESS FOR PRODUCING THE SAME, AND BEARING LUBRICANT AND BEARING SYSTEM USING SAID COMPOSITION Porite Corporation (JP) 2007-07-04 EP disclosed
US-5268435-A Modifying a bisphenol epoxy resin MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1993-12-07 US disclosed
US-5043387-A Epoxy resin reacted with primary amine, active hydrogen compound and esterifying agent to yield polyol resin MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1991-08-27 US disclosed
EP-0331052-A2 Process for the preparation of imidized acrylic polymers ELF ATOCHEM ITALIA S.r.l. (IT) 1989-09-06 EP disclosed