SCHEMBL8850640

SCHEMBL8850640

C=C(C)C(=O)OCC(CCC)(COC(=O)C(=C)C)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 4/20 0.40
SCN2A Q99250 4/20 0.40
SCN3A Q9NY46 4/20 0.40
TSHR P16473 4/20 0.40
LMNA P02545 3/20 0.40
CYP2D6 P10635 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
NFKB1 P19838 1/20 0.40
MTOR P42345 1/20 0.40
RAB9A P51151 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NR1I2 O75469 1/20 0.39
CYP1A1 P04798 1/20 0.39
CYP2E1 P05181 1/20 0.39

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
SCHEMBL8850755 0.88 ALDH1A1 (0.40) TSHRCYP2C19MEN1KMT2AALDH1A1
SCHEMBL8850502 0.80 ELANE (0.41) TSHRCYP2C19MEN1KMT2AKDM4E
SCHEMBL8850852 0.78 HIF1A (0.49) TSHRCYP2D6CYP1A2CYP2C19KMT2A
SCHEMBL27612149 0.78 HIF1A (0.41) TSHRCYP2D6CYP1A2CYP2C19KMT2A
SCHEMBL28967705 0.78 KCNN4 (0.41) TSHRCYP2C19MEN1KMT2AALDH1A1
SCHEMBL19820877 0.78 GRIN2D (0.41) TSHRCYP2C19KMT2AALDH1A1MAPT
SCHEMBL8853028 0.78 SCN1A (0.37) SCN1ASCN2ASCN3ATSHRLMNA
Methacrylic Acid SCHEMBL8853031 0.77 CYP2C19 (0.37) SCN1ASCN2ASCN3ATSHRLMNA
SCHEMBL18051630 0.77 CYP2C19 (0.40) TSHRCYP2C19MEN1KMT2AALDH1A1
SCHEMBL16817755 0.76 CYP2C19 (0.39) SCN1ASCN2ASCN3ATSHRLMNA

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-0661307-B1 Transparent resin and plastic lens HITACHI CHEMICAL CO LTD (JP) 1997-10-15 EP disclosed
US-5663264-A OF A COPOLYMER CONTAINING AN ALKYLENE OXIDE MONOMER, A POLYFUNCTIONAL (METH)ACRYLATE MONOMER AND A VINYL MONOMER HITACHI CHEMICAL COMPANY, LTD. (JP) 1997-09-02 US disclosed
US-5583191-A FORMED OF TRANSPARENT RESIN OBTAINED BY POLYMERIZING MONOMER HAVING ALKYLENE OXIDE GROUP, POLYFUNCTIONAL (METH)ACRYLATE HAVING DIVALENT BRANCED HYDROCARBON GROUP, OPTIONAL ADDITIONAL VINYL MONOMER; HEAT RESISTANCE HITACHI CHEMICAL COMPANY, LTD. (JP) 1996-12-10 US disclosed
EP-0661307-A2 Transparent resin and plastic lens HITACHI CHEMICAL CO., LTD. (JP) 1995-07-05 EP disclosed