SCHEMBL20512976

SCHEMBL20512976

Cc1cc(C)c(P(=O)(C(=O)c2ccccc2)c2c(C)cc(C)cc2C)c(C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.42
MAPT P10636 3/20 0.41
TP53 P04637 1/20 0.41
GAA P10253 1/20 0.41
ALOX15 P16050 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CES2 O00748 2/20 0.41
CES1 P23141 2/20 0.41
LMNA P02545 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
RAB9A P51151 2/20 0.40
ALDH1A1 P00352 2/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
POLB P06746 2/20 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
SCHEMBL37050 0.92 LMNA (0.40) SMN1; SMN2MAPTTP53GAAALOX15
SCHEMBL433821 0.86 SMN1; SMN2 (0.42) SMN1; SMN2MAPTTP53GAAALOX15
SCHEMBL345962 0.85 HPGD (0.46) SMN1; SMN2CES2CES1ALDH1A1POLB
SCHEMBL7625073 0.83 CES2 (0.45) SMN1; SMN2TP53GAANFKB1NFKB2
SCHEMBL28062391 0.80 SMN1; SMN2 (0.43) SMN1; SMN2MAPTCES2CES1LMNA
SCHEMBL21880196 0.80 SMN1; SMN2 (0.44) SMN1; SMN2MAPTCES2CES1LMNA
SCHEMBL18673997 0.78 LMNA (0.38) SMN1; SMN2LMNAMEN1KMT2ARAB9A
SCHEMBL989034 0.77 HPGD (0.46) SMN1; SMN2MAPTLMNAMEN1KMT2A
SCHEMBL3685553 0.77 KMT2A (0.43) SMN1; SMN2MAPTCES2CES1LMNA
SCHEMBL7623131 0.77 MAPT (0.40) SMN1; SMN2MAPTTP53GAAALOX15

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
EP-3381988-B1 LITHOGRAPHIC INK TORAY INDUSTRIES (JP) 2022-01-05 EP disclosed
US-11161991-B2 Lithographic ink TORAY INDUSTRIES, INC. (JP) 2021-11-02 US disclosed
US-20180371269-A1 LITHOGRAPHIC INK TORAY INDUSTRIES, INC. (JP) 2018-12-27 US disclosed
EP-3381988-A1 LITHOGRAPHIC INK Toray Industries, Inc. (JP) 2018-10-03 EP disclosed