SCHEMBL11312871

SCHEMBL11312871

CCCCCCCCCNN(CCCCCCCCC)C(=O)C(=O)NN

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 8/20 0.39
CASP2 P42575 1/20 0.36
CA2 P00918 3/20 0.35
CA1 P00915 2/20 0.35
DNM1 Q05193 2/20 0.35
ALOX15 P16050 1/20 0.34
ZDHHC20 Q5W0Z9 1/20 0.34
ZDHHC2 Q9UIJ5 1/20 0.34
NAAA Q02083 1/20 0.34
PLA2G2A P14555 1/20 0.34
RRM1 P23921 1/20 0.33
CA12 O43570 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
PPARA Q07869 1/20 0.33

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
SCHEMBL11782041 1.00 EPHX1 (0.39) EPHX1CASP2CA2CA1DNM1
SCHEMBL11801962 0.98 EPHX1 (0.36) EPHX1CASP2CA2CA1DNM1
SCHEMBL11780569 0.90 ALOX15 (0.40) EPHX1CA2CA1DNM1ALOX15
SCHEMBL3280469 0.75 EPHX1 (0.40) EPHX1CASP2DNM1ZDHHC20ZDHHC2
SCHEMBL11080488 0.75 EPHX1 (0.38) EPHX1CASP2DNM1ALOX15ZDHHC20
SCHEMBL10885561 0.74 L3MBTL1 (0.47) CA2NAAA
SCHEMBL3279969 0.73 EPHX1 (0.37) EPHX1CASP2CA1DNM1ZDHHC20
SCHEMBL2364338 0.73 ALDH1A1 (0.45) EPHX1CASP2DNM1NAAA
SCHEMBL3280301 0.72 TSHR (0.42) EPHX1CASP2DNM1ZDHHC20ZDHHC2
SCHEMBL15012814 0.72 EPHX1 (0.40) EPHX1CASP2DNM1ZDHHC20ZDHHC2

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
US-4035325-A ANTIMONY, SUBSTITUTED HYDRAZINE OR 3-AMINO-1,2,4-TRIAZOLE AMIDE ION STANDARD OIL COMPANY (INDIANA) (US) 1977-07-12 US claimed
US-4306930-A INCORPORATING A HYDRAZIDE OR DIHYDRAZIDE AND THEN VULCANIZING IN CONTACT WITH A METAL CIBA-GEIGY CORPORATION (US) 1981-12-22 US disclosed
US-4077948-A N-SALICYLIDENE-N*-SALICYLHYDRAZIDES CIBA-GEIGY CORPORATION (US) 1978-03-07 US disclosed
US-4038247-A STABILIZING POLYOLEFINS WITH DIACYL DIHYDRAZIDES CIBA-GEIGY CORPORATION (US) 1977-07-26 US disclosed
US-4035325-A ANTIMONY, SUBSTITUTED HYDRAZINE OR 3-AMINO-1,2,4-TRIAZOLE AMIDE ION STANDARD OIL COMPANY (INDIANA) (US) 1977-07-12 US disclosed
US-3994987-A Metal deactivators as adhesion promotors for vulcanizable elastomers to metals CIBA-GEIGY CORPORATION (US) 1976-11-30 US disclosed