SCHEMBL7553134

SCHEMBL7553134

C=CCCC1CCC(c2ccc(-c3ccc(C=O)cc3)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 8/20 0.39
DGAT1 O75907 8/20 0.38
CYP2C9 P11712 3/20 0.37
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SOAT1 P35610 3/20 0.34
ESR1 P03372 6/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 1/20 0.34
FAAH O00519 1/20 0.34
CHRM2 P08172 1/20 0.34
DGAT2 Q96PD7 1/20 0.34
PDE10A Q9Y233 1/20 0.34

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
SCHEMBL7553137 1.00 ESR2 (0.39) ESR2DGAT1CYP2C9ALDH1A1LMNA
SCHEMBL8727559 0.96 ESR2 (0.41) ESR2DGAT1CYP2C9ALDH1A1LMNA
SCHEMBL8727564 0.96 ESR2 (0.41) ESR2DGAT1CYP2C9ALDH1A1LMNA
SCHEMBL7912624 0.85 ESR2 (0.41) ESR2DGAT1CYP2C9ALDH1A1LMNA
SCHEMBL7912629 0.85 ESR2 (0.41) ESR2DGAT1CYP2C9ALDH1A1LMNA
SCHEMBL7741316 0.84 ESR2 (0.44) ESR2DGAT1CYP2C9ALDH1A1LMNA
SCHEMBL10864824 0.84 NPC1 (0.47) ESR2DGAT1CYP2C9NPC1RAB9A
SCHEMBL7741318 0.84 ESR2 (0.44) ESR2DGAT1CYP2C9ALDH1A1LMNA
SCHEMBL8038575 0.82 ESR2 (0.41) ESR2DGAT1CYP2C9ALDH1A1LMNA
SCHEMBL8034648 0.82 ESR2 (0.41) ESR2DGAT1CYP2C9ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0844248-B1 Crosslinkable, photoactive silane derivatives ROLIC AG (CH) 2002-07-10 EP disclosed
US-5965761-A CROSSLINKABLE SILANE DERIVAATIVES HAVING A 3-ARYLACRYLIC ACID OR-ACRYLAMIDE GROUP FOR ORIENTING LAYER AND FOR NONSTRUCTURED AND STRUCTURED OPTICAL ELEMENTS AND MULTILAYER SYSTEMS; PHOTOSTABILITY; CONTRAST; RESOLUTION ROLIC AG (CH) 1999-10-12 US disclosed
EP-0844248-A2 Crosslinkable, photoactive silane derivatives Rolic AG (CH) 1998-05-27 EP disclosed