SCHEMBL4642930

SCHEMBL4642930

CCCC1CCC(C(Cc2cc(F)c(F)c(F)c2)C(=O)O)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 2/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ HIF1A Q16665 1/20 0.46
▸ CPA1 P15085 1/20 0.35
▸ PLA2G10 O15496 1/20 0.34
▸ PLA2G2A P14555 1/20 0.34
▸ RIPK1 Q13546 1/20 0.34
▸ PPARD Q03181 1/20 0.33
▸ PPARA Q07869 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CHRM4 P08173 2/20 0.32
▸ UBE2M P61081 1/20 0.32
▸ DCUN1D1 Q96GG9 1/20 0.32
▸ CPN1 P15169 1/20 0.32
▸ CPB2 Q96IY4 1/20 0.32
▸ CHRM2 P08172 2/20 0.32
▸ CHRM1 P11229 1/20 0.32
▸ PPARG P37231 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
SCHEMBL4642924 1.00 CYP2C9 (0.46) CYP2C9CYP2C19HIF1ACPA1PLA2G10
Hydrochloric Acid SCHEMBL4645988 0.99 CYP2C9 (0.45) CYP2C9CYP2C19HIF1ACPA1PLA2G10
Hydrochloric Acid SCHEMBL4645987 0.99 CYP2C9 (0.45) CYP2C9CYP2C19HIF1ACPA1PLA2G10
SCHEMBL4645981 0.89 CYP2C9 (0.34) CYP2C9CYP2C19HIF1ARIPK1ALDH1A1
SCHEMBL14493308 0.84 CYP2C9 (0.45) CYP2C9CYP2C19HIF1ACPA1PLA2G10
SCHEMBL14508557 0.83 CYP2C9 (0.47) CYP2C9CYP2C19HIF1ACPA1PLA2G10
SCHEMBL9285688 0.76 MME (0.41) CYP2C9CYP2C19HIF1ACPA1PLA2G10
SCHEMBL14493309 0.74 ALDH1A1 (0.34) CYP2C9CYP2C19HIF1AALDH1A1DPP4
SCHEMBL10583043 0.73 CYP2C9 (0.38) CYP2C9CYP2C19HIF1AALDH1A1LMNA
SCHEMBL9763928 0.73 MAOB (0.35) CYP2C9RIPK1ALDH1A1LMNAMAPT

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-1568754-B1 NEMATIC LIQUID CRYSTAL COMPOSITION CONTAINING INDAN COMPOUND DAINIPPON INK & CHEMICALS (JP) 2008-08-13 — — EP disclosed
US-7232592-B2 Compounds having a 4,6-difluoroindan-2,5-diyl group; composition of up to 6 compounds gives good response speed, good electrooptical liquid crystal display, matrix liquid crystal display elements DAINIPPON INK AND CHEMICALS, INC. (JP) 2007-06-19 — — US disclosed
US-20060102878-A1 Nematic liquid crystal composition containing indan compound DAINIPPON INK AND CHEMICALS, INC. (JP) 2006-05-18 — — US disclosed
EP-1568754-A1 NEMATIC LIQUID CRYSTAL COMPOSITION CONTAINING INDAN COMPOUND DAINIPPON INK AND CHEMICALS, INC. (JP) 2005-08-31 — — EP disclosed
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