SCHEMBL11242897

SCHEMBL11242897

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.53
ALDH1A1 P00352 3/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
ESR1 P03372 3/20 0.48
AKR1C4 P17516 1/20 0.48
AKR1C3 P42330 1/20 0.48
AKR1C2 P52895 1/20 0.48
AKR1C1 Q04828 1/20 0.48
LMNA P02545 2/20 0.48
TSHR P16473 2/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
PRF1 P14222 1/20 0.46
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPK1 P28482 1/20 0.46
CCNB2 O95067 2/20 0.46
CDK1 P06493 2/20 0.46
CCNB1 P14635 2/20 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
SCHEMBL11246590 1.00 MAPT (0.53) MAPTALDH1A1NPC1RAB9AESR1
SCHEMBL3029410 0.85 PRF1 (0.56) MAPTALDH1A1ESR1LMNATSHR
SCHEMBL11250033 0.84 MAPT (0.69) MAPTALDH1A1NPC1RAB9AESR1
SCHEMBL21082654 0.80 MAPT (0.49) MAPTALDH1A1MEN1KMT2APRF1
SCHEMBL31634638 0.80 ALDH1A1 (0.56) MAPTALDH1A1NPC1RAB9AESR1
SCHEMBL5077390 0.80 ALDH1A1 (0.56) MAPTALDH1A1NPC1RAB9AESR1
SCHEMBL9718115 0.80 ALDH1A1 (0.56) MAPTALDH1A1NPC1RAB9AESR1
SCHEMBL503416 0.78 ALDH1A1 (0.55) MAPTALDH1A1NPC1RAB9AESR1
SCHEMBL11838429 0.78 ALDH1A1 (0.60) MAPTALDH1A1NPC1RAB9AESR1
SCHEMBL11249792 0.77 MAPT (0.53) MAPTALDH1A1MEN1KMT2ACYP3A4

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