SCHEMBL7941975

SCHEMBL7941975

CC[C@H]1CC[C@H](C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.50
▸ HTT P42858 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ MMP2 P08253 5/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.43
▸ MGLL Q99685 2/20 0.43
▸ F2 P00734 1/20 0.43
▸ MMP3 P08254 3/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ ELANE P08246 1/20 0.42
▸ HRH2 P25021 2/20 0.41
▸ HRH1 P35367 2/20 0.41
▸ HRH3 Q9Y5N1 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ MMP1 P03956 1/20 0.41
▸ MMP9 P14780 1/20 0.41

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
SCHEMBL91806 1.00 POLB (0.50) POLBHTTKMT2ASMN1; SMN2TDP1
SCHEMBL11404643 0.92 POLB (0.50) POLBHTTKMT2ASMN1; SMN2TDP1
SCHEMBL10614001 0.90 F2 (0.52) POLBHTTKMT2ASMN1; SMN2TDP1
SCHEMBL12736709 0.90 POLB (0.48) POLBHTTKMT2ASMN1; SMN2TDP1
SCHEMBL3279736 0.88 MGLL (0.48) POLBHTTKMT2ASMN1; SMN2TDP1
SCHEMBL3284899 0.87 MGLL (0.48) POLBHTTKMT2ASMN1; SMN2TDP1
SCHEMBL10606848 0.87 MGLL (0.48) POLBHTTKMT2ASMN1; SMN2TDP1
SCHEMBL8454574 0.87 POLB (0.46) POLBHTTKMT2ASMN1; SMN2TDP1
SCHEMBL8454568 0.87 POLB (0.46) POLBHTTKMT2ASMN1; SMN2TDP1
SCHEMBL8454572 0.87 POLB (0.46) POLBHTTKMT2ASMN1; SMN2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE37270-E1 EXCELLENT ELECTRO-OPTIC STEEPNESS AND VIEWING ANGLE COMBINED WITH BIREFRINGENCE FOR USE IN STANDARD DISPLAY CELLS; MIXTURE OF 4-CYANO-3-FLUOROPHENYL BENZOATES, BENZONITRILES, ALKYLPHENYL ESTERS OF CYCLOHEXANE OR PHENYLCARBOXYLIC ACIDS MERCK PATENT GESELLSCHAFT (DE) 2001-07-10 — — US claimed
EP-0285617-B1 LIQUID CRYSTAL PHASE MERCK PATENT GmbH (DE) 1991-12-27 — — EP claimed
US-4886621-A ACCEPTABLE COMBINATION OF THRESHOLD STEEPNESS, VIEWING ANGLE AND TEMPERATURE DEPENDENCE AT LOW THRESHOLD VOLTAGE MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1989-12-12 — — US claimed
US-RE37270-E1 EXCELLENT ELECTRO-OPTIC STEEPNESS AND VIEWING ANGLE COMBINED WITH BIREFRINGENCE FOR USE IN STANDARD DISPLAY CELLS; MIXTURE OF 4-CYANO-3-FLUOROPHENYL BENZOATES, BENZONITRILES, ALKYLPHENYL ESTERS OF CYCLOHEXANE OR PHENYLCARBOXYLIC ACIDS MERCK PATENT GESELLSCHAFT (DE) 2001-07-10 — — US disclosed
EP-0285617-B1 LIQUID CRYSTAL PHASE MERCK PATENT GmbH (DE) 1991-12-27 — — EP disclosed
US-4886621-A ACCEPTABLE COMBINATION OF THRESHOLD STEEPNESS, VIEWING ANGLE AND TEMPERATURE DEPENDENCE AT LOW THRESHOLD VOLTAGE MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1989-12-12 — — US disclosed
US-4834906-A Smectic A liquid crystal compositions MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1989-05-30 — — US disclosed
EP-0285617-A1 LIQUID CRYSTAL PHASE. MERCK PATENT GMBH (DE) 1988-10-12 — — EP disclosed
WO-1988002018-A1 LIQUID CRYSTAL PHASE MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1988-03-24 — — WO disclosed
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