SCHEMBL11258682

SCHEMBL11258682

O=C(OCc1ccccc1)c1ccc2c(c1)C(=O)OC2

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOA P21397 11/20 0.60
MAOB P27338 10/20 0.60
MAPT P10636 5/20 0.60
LMNA P02545 2/20 0.60
NPC1 O15118 1/20 0.60
ALDH1A1 P00352 1/20 0.60
RAB9A P51151 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
SLC6A2 P23975 1/20 0.53
SLC6A3 Q01959 1/20 0.53
KMT2A Q03164 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
KDM4E B2RXH2 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL11250033 0.82 MAPT (0.69) MAOAMAOBMAPTLMNANPC1
SCHEMBL1115098 0.79 MAPT (0.63) MAPTLMNANPC1ALDH1A1RAB9A
SCHEMBL30935799 0.79 MAPT (0.63) MAPTLMNANPC1ALDH1A1RAB9A
SCHEMBL15158561 0.78 MAOA (0.61) MAOAMAOBMAPTLMNANPC1
SCHEMBL21082654 0.78 MAPT (0.49) MAOAMAOBMAPTALDH1A1KMT2A
SCHEMBL5834485 0.78 RAB9A (0.70) MAPTLMNANPC1ALDH1A1RAB9A
SCHEMBL11249792 0.77 MAPT (0.53) MAOAMAOBMAPTALDH1A1SMN1; SMN2
SCHEMBL6427216 0.77 KMT2A (0.51) MAOAMAOBALDH1A1KMT2A
SCHEMBL6836717 0.76 MAPT (0.56) MAOBMAPTLMNANPC1ALDH1A1
SCHEMBL11242897 0.76 MAPT (0.53) MAPTLMNANPC1ALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4351768-A CARBONLESS, DUPLICATION, INDOLE DYES STERLING DRUG INC. (US) 1982-09-28 US disclosed
US-4322352-A Indolyl phthalide compounds STERLING DRUG INC. (US) 1982-03-30 US disclosed
US-4307018-A CHROMOGENS FOR COPYING SYSTEMS STERLING DRUG INC. (US) 1981-12-22 US disclosed
US-4251446-A COLOR PRECURSORS STERLING DRUG INC. (US) 1981-02-17 US disclosed
US-4189171-A PRESSURE SENSITIVE, THERMAL AND HECTOGRAPHIC SYSTEMS STERLING DRUG INC. (US) 1980-02-19 US disclosed