SCHEMBL8664260

SCHEMBL8664260

CCCCN(CCCC)c1cccc(N(CCCC)CCCC)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
AR P10275 2/20 0.45
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPT P10636 2/20 0.44
NR1H2 P55055 3/20 0.41
NR1H3 Q13133 3/20 0.41
HTR7 P34969 1/20 0.40
MTNR1A P48039 2/20 0.39
MTNR1B P49286 2/20 0.39
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
MEN1 O00255 1/20 0.38

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
SCHEMBL11000207 0.94 ALDH1A1 (0.55) ALDH1A1ARKDM4EPOLBGAA
SCHEMBL10689574 0.88 HDAC6 (0.45) ALDH1A1ARKDM4EPOLBGAA
SCHEMBL5284253 0.88 ALDH1A1 (0.50) ALDH1A1ARKDM4EPOLBGAA
SCHEMBL653527 0.86 ALDH1A1 (0.67) ALDH1A1KDM4EPOLBGAACYP3A4
SCHEMBL11133767 0.86 MAPT (0.65) ALDH1A1KDM4EPOLBGAACYP3A4
SCHEMBL29402682 0.86 ALDH1A1 (0.67) ALDH1A1KDM4EPOLBGAACYP3A4
SCHEMBL17863878 0.86 CYP1A2 (0.41) ALDH1A1ARKDM4EPOLBGAA
Lithium Ion SCHEMBL19732786 0.86 ALDH1A1 (0.49) ALDH1A1ARKDM4EPOLBGAA
SCHEMBL21065747 0.86 ALDH1A1 (0.49) ALDH1A1ARKDM4EPOLBGAA
SCHEMBL1498625 0.86 TSHR (0.45) ALDH1A1ARKDM4EPOLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5710335-A REACTING RESORCIN WITH PRIMARY AMINE THEN ALKYL HALIDE MITSUI TOATSU CHEMICALS, INC. (JP) 1998-01-20 US 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-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-4257954-A INDOLYL-PHENYLSULFONYL-PHENYL METHANE STERLING DRUG INC. (US) 1981-03-24 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