SCHEMBL7910418

SCHEMBL7910418

CCC1CCC(C2CCC(c3ccc(C(=O)O)cc3)CC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 2/20 0.52
▸ ALDH1A1 P00352 3/20 0.50
▸ LMNA P02545 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ MEN1 O00255 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ MRGPRX4 Q96LA9 1/20 0.41
▸ ESR2 Q92731 2/20 0.40
▸ ESR1 P03372 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ HAO1 Q9UJM8 1/20 0.40
▸ GRIK1 P39086 2/20 0.39
▸ DGAT1 O75907 2/20 0.38
▸ HDAC8 Q9BY41 2/20 0.38
▸ HDAC6 Q9UBN7 2/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC3 O15379 1/20 0.38
▸ HDAC11 Q96DB2 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38

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
SCHEMBL7910423 1.00 CYP2C9 (0.52) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL7910412 1.00 CYP2C9 (0.52) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL10784907 0.95 CYP2C9 (0.56) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8220664 0.95 CYP2C9 (0.56) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL7722697 0.88 CYP2C9 (0.69) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL7722701 0.88 CYP2C9 (0.69) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL7722695 0.88 CYP2C9 (0.69) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL10762666 0.88 CYP2C9 (0.52) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL10762673 0.88 CYP2C9 (0.52) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL10762675 0.88 CYP2C9 (0.52) CYP2C9ALDH1A1LMNAMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1088453-C Fluorine-substituted liquid-crystal compound, liquid-crystal composition and liquid-crystal display device CHISSO CORP (JP) 2002-07-31 — — CN disclosed
EP-0820976-B1 FLUORINE-SUBSTITUTED LIQUID-CRYSTAL COMPOUND, LIQUID-CRYSTAL COMPOSITION AND LIQUID-CRYSTAL DISPLAY DEVICE CHISSO CORP (JP) 2001-02-21 — — EP disclosed
US-6051288-A LARGE DIELECTRIC ANISOTROPY, SMALL CHANGE IN THRESHOLD VOLTAGE DEPENDING ON TEMPERATURE, AND AN IMPROVED SOLUBILITY TO OTHER LIQUID CRYSTAL MATERIALS AT LOW TEMPERATURES CHISSO CORPORATION (JP) 2000-04-18 — — US disclosed
CN-1184462-A Fluorine-substituted liquid-crystal compound, liquid-crystal composition and liquid-crystal display device CHISSO CORP (JP) 1998-06-10 — — CN disclosed
EP-0820976-A1 FLUORINE-SUBSTITUTED LIQUID-CRYSTAL COMPOUND, LIQUID-CRYSTAL COMPOSITION AND LIQUID-CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 1998-01-28 — — EP disclosed
US-4620938-A Hydroterphenyls MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1986-11-04 — — US disclosed
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