SCHEMBL9665178

SCHEMBL9665178

CCCCCCCCCCCc1ccc(-c2ccccc2C(=O)O)c(C(=O)O)c1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KAT8 Q9H7Z6 2/20 0.65
PTPN11 Q06124 2/20 0.64
PPARA Q07869 2/20 0.61
FOLH1 Q04609 1/20 0.60
PPARG P37231 1/20 0.57
PLK1 P53350 4/20 0.56
PLK3 Q9H4B4 3/20 0.54
RARB P10826 4/20 0.53
GPR3 P46089 1/20 0.52
RARA P10276 1/20 0.52
RARG P13631 1/20 0.52
LTB4R2 Q9NPC1 1/20 0.50
METAP2 P50579 1/20 0.50

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
SCHEMBL27657067 0.99 KAT8 (0.62) KAT8PTPN11PPARAFOLH1PPARG
SCHEMBL7780583 0.89 KAT8 (0.65) KAT8PTPN11PPARAFOLH1PPARG
SCHEMBL4599432 0.89 KAT8 (0.65) KAT8PTPN11PPARAFOLH1PPARG
SCHEMBL9766535 0.89 KAT8 (0.65) KAT8PTPN11PPARAFOLH1PPARG
SCHEMBL29236562 0.88 FOLH1 (0.67) KAT8PTPN11FOLH1PPARGLTB4R2
SCHEMBL6264549 0.88 RARB (0.55) KAT8PTPN11PPARAFOLH1PPARG
Hydrochloric Acid SCHEMBL9766562 0.87 KAT8 (0.63) KAT8PTPN11PPARAFOLH1PPARG
Hydrochloric Acid SCHEMBL10395643 0.87 KAT8 (0.63) KAT8PTPN11PPARAFOLH1PPARG
SCHEMBL10340874 0.86 RARB (0.54) KAT8PTPN11PPARAFOLH1PPARG
SCHEMBL10341051 0.84 LTB4R2 (0.65) PPARGPLK1RARBRARARARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0313379-B1 OPTICALLY ACTIVE COMPOUND HAVING DELTA-VALEROLACTONE RING AND LIQUID CRYSTAL COMPOSITION COMPRISING SAME MITSUBISHI RAYON CO., LTD. (JP) 1992-07-22 EP disclosed
US-5045228-A Useful for high speed print heads MITSUBISHI RAYON COMPANY LTD. (JP) 1991-09-03 US disclosed
EP-0313379-A2 Optically active compound having delta-valerolactone ring and liquid crystal composition comprising same MITSUBISHI RAYON CO., LTD. (JP) 1989-04-26 EP disclosed