SCHEMBL8972017

SCHEMBL8972017

CC(=O)O[CH]c1ccc(C(C)(C)C)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.52
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
HDAC1 Q13547 1/20 0.41
ESRRG P62508 4/20 0.41
TRPV1 Q8NER1 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
HTT P42858 1/20 0.41
HIF1A Q16665 1/20 0.41
MAPT P10636 1/20 0.41
LMNA P02545 2/20 0.40
SRD5A2 P31213 1/20 0.40
TYR P14679 1/20 0.40
EPHX2 P34913 1/20 0.40
NR1H4 Q96RI1 1/20 0.40

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
SCHEMBL6957862 0.76 LMNA (0.43) CYP1A2SMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL87638 0.75 TDP1 (0.48) CYP1A2HDAC1SMN1; SMN2MEN1ALDH1A1
SCHEMBL9998368 0.72 CYP1A2 (0.54) CYP1A2HDAC1TRPV1SMN1; SMN2MEN1
SCHEMBL9998365 0.72 CYP1A2 (0.54) CYP1A2HDAC1TRPV1SMN1; SMN2MEN1
SCHEMBL9609534 0.71 CYP1A2 (0.53) CYP1A2CA1CA2HDAC1ESRRG
SCHEMBL11395099 0.71 CYP1A2 (0.75) CYP1A2HDAC1TRPV1SMN1; SMN2MEN1
SCHEMBL798102 0.71 CYP1A2 (0.75) CYP1A2HDAC1TRPV1SMN1; SMN2MEN1
SCHEMBL25161985 0.70 CYP1A2 (0.45) CYP1A2CA1CA2HDAC1ESRRG
SCHEMBL9998369 0.70 CYP1A2 (0.45) CYP1A2CA1CA2HDAC1ESRRG
SCHEMBL9998370 0.70 CYP1A2 (0.45) CYP1A2CA1CA2HDAC1ESRRG

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
EP-0374704-B1 Photopolymerisable blend and photopolymerisable recording material containing it MORTON INT INC (US) 1996-03-27 EP disclosed
EP-0374704-A2 Photopolymerisable blend and photopolymerisable recording material containing it MORTON INTERNATIONAL, INC. (US) 1990-06-27 EP disclosed