SCHEMBL8973205

SCHEMBL8973205

CCCC1CC=C(c2ccc(-c3ccc(O)cc3)cc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 4/20 0.67
QDPR P09417 2/20 0.38
DRD2 P14416 3/20 0.37
DRD3 P35462 3/20 0.37
DRD4 P21917 2/20 0.37
NPC1 O15118 1/20 0.36
CASP3 P42574 1/20 0.36
RAB9A P51151 1/20 0.36
SENP8 Q96LD8 1/20 0.36
NLRP3 Q96P20 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
ESR1 P03372 2/20 0.34
FYN P06241 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
USP7 Q93009 1/20 0.33
SHBG P04278 1/20 0.32

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
SCHEMBL8972749 0.98 ESR2 (0.69) ESR2QDPRDRD2DRD3DRD4
SCHEMBL11195824 0.92 ESR2 (0.53) ESR2NPC1CASP3RAB9ASENP8
SCHEMBL10934794 0.91 ESR2 (0.63) ESR2QDPRDRD2DRD3DRD4
SCHEMBL11190434 0.90 ESR2 (0.54) ESR2NPC1CASP3RAB9ASENP8
SCHEMBL10928539 0.90 ESR2 (0.61) ESR2QDPRDRD2DRD3DRD4
SCHEMBL10928754 0.89 ESR2 (0.65) ESR2QDPRDRD2DRD3DRD4
SCHEMBL10930963 0.88 ESR2 (0.60) ESR2NPC1RAB9AESR1SMN1; SMN2
SCHEMBL10931158 0.88 ESR2 (0.60) ESR2NPC1RAB9AESR1SMN1; SMN2
SCHEMBL10931273 0.88 ESR2 (0.60) ESR2NPC1RAB9AESR1SMN1; SMN2
SCHEMBL10929230 0.88 ESR2 (0.63) ESR2QDPRDRD2DRD3DRD4

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-0545409-B1 Liquid crystals with end groups containing more than one silane group CONSORTIUM ELEKTROCHEM IND (DE) 1996-03-06 EP disclosed
US-5399290-A Liquid crystals with (polysila) alkyl wing groups CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 1995-03-21 US disclosed
EP-0545409-A1 Liquid crystals with end groups containing more than one silane group Consortium für elektrochemische Industrie GmbH (DE) 1993-06-09 EP disclosed
US-4505837-A Liquid crystalline phenylcyclohexene derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1985-03-19 US disclosed