SCHEMBL29037434

SCHEMBL29037434

Cc1cc(C)cc(CNCCO)c1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GSR P00390 2/20 0.55
PDCD1 Q15116 5/20 0.47
CD274 Q9NZQ7 5/20 0.47
TP53 P04637 1/20 0.47
ALOX15 P16050 1/20 0.47
SPHK2 Q9NRA0 1/20 0.42
SPHK1 Q9NYA1 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
CHRM2 P08172 1/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
RECQL P46063 1/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL15587609 0.87 GSR (0.47) GSRPDCD1CD274TP53ALOX15
SCHEMBL8433070 0.86 CHRM2 (0.45) GSRALDH1A1TSHRCHRM2
Hydrochloric Acid SCHEMBL8433082 0.84 CHRM2 (0.43) GSRCHRM2LMNA
SCHEMBL21696286 0.84 GSR (0.57) GSRPDCD1CD274TP53ALOX15
SCHEMBL18932620 0.81 ALDH1A1 (0.38) TP53ALDH1A1TSHRCHRM2POLB
SCHEMBL14492270 0.80 PDCD1 (0.54) GSRPDCD1CD274SMN1; SMN2ALDH1A1
SCHEMBL19696585 0.80 CHRM2 (0.41) GSRSMN1; SMN2CHRM2LMNA
SCHEMBL7991882 0.78 CHRM2 (0.64) GSRPDCD1CD274ALOX15SMN1; SMN2
SCHEMBL21650955 0.75 CHRM2 (0.50) TP53ALOX15SMN1; SMN2CHRM2
SCHEMBL5595540 0.75 ALDH1A1 (0.35) TP53SMN1; SMN2ALDH1A1TSHRCHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112533963-B (meth) acrylate, monomer composition for dental material, molded article, composition for dental material, and method for producing (meth) acrylate 三井化学株式会社 2023-07-25 CN disclosed