SCHEMBL9185016

SCHEMBL9185016

CCCCCCCCn1c(C)c(C=O)c2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
ALDH1A1 P00352 2/20 0.54
LMNA P02545 2/20 0.54
CNR2 P34972 10/20 0.54
CNR1 P21554 5/20 0.54
SLC6A3 Q01959 1/20 0.52
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 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
SCHEMBL13293650 0.94 MEN1 (0.66) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL14838749 0.89 MEN1 (0.60) MEN1KMT2AALDH1A1LMNACNR2
SCHEMBL2362870 0.83 PGR (0.49) MEN1KMT2AALDH1A1LMNACNR2
SCHEMBL23581772 0.82 ALDH1A1 (0.59) ALDH1A1LMNACNR2HTTSMN1; SMN2
SCHEMBL8742608 0.82 ALDH1A1 (0.59) ALDH1A1LMNACNR2HTTSMN1; SMN2
SCHEMBL18919102 0.82 MEN1 (0.59) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL8264250 0.82 MEN1 (0.66) MEN1KMT2AALDH1A1LMNACNR2
SCHEMBL9189744 0.82 ALDH1A1 (0.62) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL10936844 0.81 MEN1 (0.64) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL10654136 0.81 PGR (0.53) MEN1KMT2AALDH1A1LMNACNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0453395-B1 Pressure sensitive recording material CIBA GEIGY AG (CH) 1995-11-02 EP disclosed
US-5254522-A Pressure-sensitive or heat-sensitive recording material CIBA-GEIGY CORPORATION (US) 1993-10-19 US disclosed
EP-0453395-A1 Pressure sensitive recording material CIBA-GEIGY AG (CH) 1991-10-23 EP disclosed
US-4732991-A Substituted phthalides HILTON DAVIS CHEMICAL CO. (US) 1988-03-22 US disclosed
US-4595768-A 3-(substituted phenyl)phthalides THE HILTON-DAVIS CHEMICAL CO. (US) 1986-06-17 US disclosed
US-4494989-A PRESSURE SENSITIVE CARBONLESS DUPLICATING OR THERMAL MARKING SYSTEMS THE HILTON-DAVIS CHEMICAL CO. (US) 1985-01-22 US disclosed
US-4257954-A INDOLYL-PHENYLSULFONYL-PHENYL METHANE STERLING DRUG INC. (US) 1981-03-24 US disclosed
US-4089546-A AZINE COMPOUNDS CIBA-GEIGY CORPORATION (US) 1978-05-16 US disclosed