SCHEMBL7518958

SCHEMBL7518958

O=C(NC(CCl)C(=O)O)OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.57
PPARG P37231 1/20 0.56
CTSK P43235 3/20 0.56
TACR1 P25103 2/20 0.56
CTRB1 P17538 2/20 0.55
CTSL P07711 1/20 0.54
CTSB P07858 1/20 0.54
CTSS P25774 1/20 0.54
IDO1 P14902 1/20 0.54
TDO2 P48775 1/20 0.54
CASP1 P29466 1/20 0.53
ALDH1A1 P00352 1/20 0.53
ALOX15 P16050 1/20 0.53
ITGB3 P05106 4/20 0.53
ITGA2B P08514 4/20 0.53
KYNU Q16719 1/20 0.52

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
SCHEMBL6940198 1.00 PPARA (0.57) PPARAPPARGCTSKTACR1CTRB1
SCHEMBL38660952 1.00 PPARA (0.57) PPARAPPARGCTSKTACR1CTRB1
SCHEMBL38662865 0.89 CTSK (0.54) PPARACTSKTACR1CTRB1CTSL
SCHEMBL38662401 0.89 CTSK (0.54) PPARACTSKTACR1CTRB1CTSL
SCHEMBL18328213 0.88 KYNU (0.63) PPARGCTSKTACR1CTRB1CTSL
SCHEMBL29095981 0.88 KYNU (0.63) PPARGCTSKTACR1CTRB1CTSL
SCHEMBL11367055 0.88 CTSK (0.59) CTSKCTSLCTSBCTSS
SCHEMBL7366118 0.87 TACR1 (0.62) CTSKTACR1CTRB1CTSLCTSB
SCHEMBL7329157 0.86 CTSK (0.58) PPARAPPARGCTSKTACR1CTRB1
Hypochlorous Acid SCHEMBL7368156 0.86 TACR1 (0.65) CTSKTACR1CTRB1CTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016202894-A1 METHOD OF CONVERTING ALCOHOL TO HALIDE UNIVERSITAET DES SAARLANDES (DE) 2016-12-22 WO disclosed
EP-0739881-B1 Piperidine derivatives KOWA CO (JP) 2002-03-06 EP disclosed
US-6320072-B1 SALTING OUT N-PROTECTED-S-PHENYLCYSTEINE IN FORM OF BASE SALT IN PRESENCE OF WATER KANEKA CORPORATION (JP) 2001-11-20 US disclosed
EP-1067119-A1 METHOD FOR ISOLATION OF N-PROTECTED S-PHENYLCYSTEINE KANEKA CORPORATION (JP) 2001-01-10 EP disclosed
US-5714501-A ANTIALLERGENIC/ANTIASTHMATIC AGENTS KOWA CO., LTD. (JP) 1998-02-03 US disclosed
EP-0739881-A2 Piperidine derivatives KOWA CO. LTD. (JP) 1996-10-30 EP disclosed
US-4401658-A VACCINE ADJUVANTS, IMMUNOSTIMULANTS RHONE-POULENC SANTE (FR) 1983-08-30 US disclosed