SCHEMBL10784907

SCHEMBL10784907

CC[C@H]1CC[C@H](c2ccc(C(=O)O)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 2/20 0.56
▸ ALDH1A1 P00352 3/20 0.54
▸ LMNA P02545 1/20 0.54
▸ MAPT P10636 1/20 0.54
▸ MEN1 O00255 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ MRGPRX4 Q96LA9 1/20 0.43
▸ ESR2 Q92731 2/20 0.43
▸ ESR1 P03372 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ HAO1 Q9UJM8 1/20 0.43
▸ TP53 P04637 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ HDAC8 Q9BY41 2/20 0.41
▸ HDAC6 Q9UBN7 2/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC3 O15379 1/20 0.41
▸ HDAC11 Q96DB2 1/20 0.41
▸ DGAT1 O75907 3/20 0.40

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
SCHEMBL8220664 1.00 CYP2C9 (0.56) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL7910418 0.95 CYP2C9 (0.52) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL7910412 0.95 CYP2C9 (0.52) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL7910423 0.95 CYP2C9 (0.52) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL2770921 0.87 CYP2C9 (0.75) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL3267992 0.87 CYP2C9 (0.75) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL17968950 0.86 CYP2C9 (0.56) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL17834401 0.86 CYP2C9 (0.56) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL901209 0.85 TSHR (0.57) CYP2C9ALDH1A1LMNAMAPTMRGPRX4
SCHEMBL901207 0.85 TSHR (0.57) CYP2C9ALDH1A1LMNAMAPTMRGPRX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0033947-B2 LIQUID CRYSTAL DISPLAY ELEMENT KABUSHIKI KAISHA TOSHIBA (JP) 1987-01-14 — — EP claimed
EP-0033947-B1 LIQUID CRYSTAL DISPLAY ELEMENT KABUSHIKI KAISHA TOSHIBA (JP) 1983-09-21 — — EP claimed
CN-101462939-A Preparation of trans substitute cyclohexane-carboxylic acid and trans/trans bicyclohexanedicarboxylic acid FUJIFILM CORP (JP) 2009-06-24 — — CN disclosed
US-4410445-A Liquid-crystalline dielectric having a steep characteristic curve MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1983-10-18 — — US disclosed
US-4331552-A Liquid crystalline, partially hydrogenated oligo-1,4-phenylenes and dielectrics and electro-optical display elements containing them MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1982-05-25 — — US disclosed
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