SCHEMBL4645765

SCHEMBL4645765

COc1ccc(OC(=O)CCl)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.56
LMNA P02545 3/20 0.56
ALDH1A1 P00352 2/20 0.53
HTT P42858 2/20 0.53
KMT2A Q03164 2/20 0.53
MAPT P10636 1/20 0.53
HSD17B10 Q99714 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.50
TDP1 Q9NUW8 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
CA12 O43570 1/20 0.46

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
SCHEMBL4095285 0.89 KMT2A (0.52) GAALMNAALDH1A1HTTKMT2A
SCHEMBL11745384 0.85 AKR1C3 (0.51) LMNAALDH1A1KMT2AMAPTHSD17B10
SCHEMBL4642418 0.84 KMT2A (0.60) GAALMNAALDH1A1HTTKMT2A
SCHEMBL10500407 0.83 LMNA (0.57) GAALMNAALDH1A1HTTKMT2A
SCHEMBL5130508 0.83 HTT (0.63) GAALMNAALDH1A1HTTKMT2A
SCHEMBL8631220 0.83 KMT2A (0.76) GAALMNAALDH1A1HTTKMT2A
SCHEMBL4644919 0.81 KMT2A (0.56) GAALMNAALDH1A1HTTKMT2A
SCHEMBL4643847 0.81 CA1 (0.58) LMNAALDH1A1HTTKMT2AMAPT
SCHEMBL4643749 0.81 LMNA (0.58) GAALMNAALDH1A1HTTKMT2A
SCHEMBL819434 0.81 KMT2A (0.66) GAALMNAALDH1A1HTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-63002986-A None JP disclosed
EP-1487928-B1 FILM-FORMING POLYMER AND ANTIFOULING PAINT JOTUN AS (NO) 2008-08-13 EP disclosed
EP-1487928-A1 FILM-FORMING POLYMER AND ANTIFOULING PAINT Jotun AS (NO) 2004-12-22 EP disclosed
WO-2003080747-A1 FILM-FORMING POLYMER AND ANTIFOULING PAINT JOTUN AS (NO) 2003-10-02 WO disclosed
EP-0251141-B1 PIPERAZINE COMPOUNDS, PROCESS FOR PREPARING THEM, PHARMACEUTICAL COMPOSITION AND USE KANEBO, LTD. (JP) 1990-05-30 EP disclosed
US-4835312-A Production process of N-substituted amide compounds MITSUI CHEMICALS, INCORPORATED (JP) 1989-05-30 US disclosed
US-4797400-A 1-4METHOXYPHENOXYCARBONYLMETHYL-4-(3,4,5-TRIMETHOXYBENZYLPIPERAZINE KANEBO, LTD. (JP) 1989-01-10 US disclosed
EP-0251141-A1 Piperazine compounds, process for preparing them, pharmaceutical composition and use KANEBO, LTD. (JP) 1988-01-07 EP disclosed
JP-S632986-A NOVEL PIPERAZINE DERIVATIVE AND ANTIULCER AGENT CONTAINING SAID COMPOUND AS ACTIVE INGREDIENT KANEBO LTD 1988-01-07 JP disclosed