SCHEMBL9156802

SCHEMBL9156802

CC1(C)OCC(Cc2ccc(C=Cc3ccc([N+](=O)[O-])cc3)cc2)O1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PTGS2 P35354 7/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
APP P05067 1/20 0.41
PTGS1 P23219 2/20 0.40
FBP1 P09467 1/20 0.40
TRPA1 O75762 1/20 0.40
CYP19A1 P11511 2/20 0.40
NR3C1 P04150 1/20 0.39
PGR P06401 1/20 0.39
AR P10275 1/20 0.39
HPGD P15428 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 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
SCHEMBL1746183 0.92 TRPA1 (0.44) MAPTSMN1; SMN2MEN1KMT2ATRPA1
SCHEMBL2462990 0.80 TMEM97 (0.43) MAPTSMN1; SMN2MEN1KMT2AHPGD
SCHEMBL8977956 0.73 ALDH1A1 (0.43) MAPTSMN1; SMN2MEN1KMT2ATRPA1
SCHEMBL5093206 0.73 LOXL2 (0.50) MAPTSMN1; SMN2KMT2ANR3C1PGR
SCHEMBL3461796 0.73 MAPT (0.49) MAPTSMN1; SMN2
SCHEMBL2832480 0.72 APP (0.66) MAPTSMN1; SMN2PTGS2NPC1RAB9A
SCHEMBL23146337 0.72 TMEM97 (0.45) MAPTSMN1; SMN2MEN1KMT2ATRPA1
SCHEMBL1747643 0.72 TMEM97 (0.42) MAPTSMN1; SMN2MEN1KMT2AHPGD
SCHEMBL23146060 0.72 SIGMAR1 (0.42) MAPTSMN1; SMN2MEN1KMT2AHPGD
SCHEMBL1081575 0.72 TMEM97 (0.45) MAPTSMN1; SMN2MEN1KMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2104547-A None JP disclosed
EP-0350113-B1 Liquid crystalline polyesters AKZO NOBEL NV (NL) 1995-01-25 EP disclosed
EP-0350112-B1 POLYURETHANES PREPARED FROM NON-LINEAR OPTICAL ACTIVE DIOLS Akzo Nobel N.V. (NL) 1993-10-06 EP disclosed
US-5001209-A Non-linear optical active diols and polyurethanes prepared therefrom AKZO N.V. (NL) 1991-03-19 US disclosed
US-4959448-A Optical waveguides AKZO N.V. (NL) 1990-09-25 US disclosed
JP-H02104547-A NON-LINEAR OPTICALLY ACTIVE DIOL AND POLYURETHANE PREPARED THEREFROM AKZO NV 1990-04-17 JP disclosed
EP-0350112-A1 Polyurethanes prepared from non-linear optical active diols Akzo Nobel N.V. (NL) 1990-01-10 EP disclosed
EP-0350113-A1 Liquid crystalline polyesters Akzo Nobel N.V. (NL) 1990-01-10 EP disclosed