SCHEMBL11496751

SCHEMBL11496751

O=C1C2C=CCCC2C(=O)N1CCCCCCO

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.43
HSD17B10 Q99714 2/20 0.43
USP2 O75604 1/20 0.43
TSHR P16473 1/20 0.43
ALDH1A1 P00352 7/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
RAB9A P51151 2/20 0.40
RECQL P46063 2/20 0.40
KDM4E B2RXH2 2/20 0.40
PABPC1 P11940 2/20 0.40
RGS12 O14924 1/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ESR1 P03372 1/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
BLM P54132 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL8149048 0.88 ALDH1A1 (0.41) HTTHSD17B10USP2TSHRALDH1A1
SCHEMBL15184112 0.88 ALDH1A1 (0.41) HTTHSD17B10USP2TSHRALDH1A1
SCHEMBL9642169 0.86 CNR2 (0.43) ALDH1A1KMT2AMEN1RAB9ARECQL
SCHEMBL7715767 0.84 CNR2 (0.41) ALDH1A1KMT2AMEN1RAB9ARECQL
SCHEMBL10967255 0.82 ALDH1A1 (0.31) ALDH1A1
SCHEMBL21461267 0.79 ALDH1A1 (0.32) ALDH1A1KMT2AMEN1RAB9A
SCHEMBL10454497 0.76 ALDH1A1 (0.41) USP2ALDH1A1KMT2AMEN1RECQL
SCHEMBL11818302 0.75 SMN1; SMN2 (0.47) HTTHSD17B10TSHRALDH1A1KMT2A
SCHEMBL7483292 0.74 HTT (0.51) HTTHSD17B10USP2TSHRALDH1A1
SCHEMBL7480871 0.74 HTT (0.51) HTTHSD17B10USP2TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4193927-A USED IN MANUFACTURE OF POLYMERS WHICH CAN BE CROSSLINKED BY LIGHT CIBA-GEIGY CORPORATION (US) 1980-03-18 US disclosed
US-4174326-A Imidyl compounds CIBA-GEIGY CORPORATION (US) 1979-11-13 US disclosed
US-4172836-A Imidyl compounds CIBA-GEIGY CORPORATION (US) 1979-10-30 US disclosed
US-4107174-A POLYMER MONOMERS CIBA-GEIGY CORPORATION (US) 1978-08-15 US disclosed