SCHEMBL10504348

SCHEMBL10504348

COc1c(C)cc(C)c(C=O)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 4/20 0.41
ALDH1A1 P00352 6/20 0.40
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ERN1 O75460 3/20 0.35
SRC P12931 1/20 0.35
PRKDC P78527 1/20 0.34
MAPT P10636 2/20 0.34
LCK P06239 1/20 0.34
GLA P06280 1/20 0.34
THRB P10828 1/20 0.34
LIMK1 P53667 1/20 0.34
LIMK2 P53671 1/20 0.34
KDM4E B2RXH2 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33
TSHR P16473 1/20 0.33
MEN1 O00255 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL25342834 0.85 AKR1B1 (0.44) AKR1B1ALDH1A1ERN1SRCPRKDC
SCHEMBL10750407 0.84 ACHE (0.43) AKR1B1ALDH1A1SMN1; SMN2ERN1PRKDC
SCHEMBL1637170 0.84 ERN1 (0.44) AKR1B1ALDH1A1LMNAERN1PRKDC
SCHEMBL13866746 0.80 AKR1B1 (0.49) AKR1B1ALDH1A1ERN1SRCMAPT
SCHEMBL6551606 0.79 CYP3A4 (0.38) AKR1B1ALDH1A1LMNASMN1; SMN2ERN1
SCHEMBL4551009 0.79 ALDH1A1 (0.44) AKR1B1ALDH1A1SMN1; SMN2ERN1PRKDC
SCHEMBL20135780 0.79 SRC (0.43) ALDH1A1SRCTDP1TSHRCYP3A4
SCHEMBL20365073 0.77 SRC (0.42) SRC
SCHEMBL25342040 0.77 IGF1R (0.36) AKR1B1ALDH1A1ERN1SRCPRKDC
SCHEMBL29818737 0.76 PRKDC (0.40) AKR1B1ALDH1A1ERN1SRCPRKDC

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
WO-2019071428-A1 COMPOUND, PHOTOPOLYMERIZATION INITIATOR, PHOTOCURABLE COMPOSITION AND CURED PRODUCT THEREOF, AND PHOTOCURABLE INK AND PRINT USING THE SAME DIC CORPORATION (JP) 2019-04-18 WO disclosed
US-4806141-A 1-OXY-2-OXIMO-3-OXO-5-PHENYL CYCLOMEXENE ICI AUSTRALIA LIMITED (AU) 1989-02-21 US disclosed
EP-0085530-B1 CYCLOHEXANE DIONE DERIVATIVES, THEIR USE AS HERBICIDES, HERBICIDAL COMPOSITIONS CONTAINING THEM, AND METHODS OF PREPARING THEM ICI AUSTRALIA LIMITED (AU) 1987-07-01 EP disclosed
EP-0085530-A2 Cyclohexane dione derivatives, their use as herbicides, herbicidal compositions containing them, and methods of preparing them ICI AUSTRALIA LIMITED (AU) 1983-08-10 EP disclosed