SCHEMBL6358586

SCHEMBL6358586

CC(C)(N)c1cc(C(C)(C)N)c(C(C)(C)N)cc1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.55
▸ ALOX15 P16050 5/20 0.55
▸ SMN1; SMN2 Q16637 3/20 0.55
▸ MAPT P10636 2/20 0.55
▸ KDM4E B2RXH2 1/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ ATP2A2 P16615 1/20 0.55
▸ ATP2A3 Q93084 1/20 0.55
▸ LMNA P02545 2/20 0.40
▸ TP53 P04637 2/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ TYR P14679 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ NR1I2 O75469 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ MIF P14174 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ NFE2L2 Q16236 1/20 0.34
▸ TDP1 Q9NUW8 3/20 0.34

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
SCHEMBL11166527 0.95 ALDH1A1 (0.60) ALDH1A1ALOX15SMN1; SMN2MAPTKDM4E
SCHEMBL8389819 0.78 HSD17B10 (0.44) ALDH1A1ALOX15SMN1; SMN2MAPTKDM4E
SCHEMBL31166944 0.73 TYR (0.50) ALDH1A1ALOX15SMN1; SMN2MAPTKDM4E
SCHEMBL7647492 0.72 ALOX15 (0.88) ALDH1A1ALOX15SMN1; SMN2MAPTKDM4E
SCHEMBL1698927 0.72 ALDH1A1 (0.45) ALDH1A1ALOX15SMN1; SMN2MAPTKDM4E
SCHEMBL3338261 0.72 PDE10A (0.50) ALDH1A1ALOX15SMN1; SMN2MAPTKDM4E
SCHEMBL38604 0.71 ALOX15 (1.00) ALDH1A1ALOX15SMN1; SMN2MAPTKDM4E
SCHEMBL18802768 0.70 ALOX15 (0.57) ALDH1A1ALOX15SMN1; SMN2MAPTKDM4E
SCHEMBL8392107 0.70 CYP3A4 (0.46) ALDH1A1ALOX15SMN1; SMN2MAPTKDM4E
SCHEMBL11418980 0.70 ALDH1A1 (0.59) ALDH1A1ALOX15SMN1; SMN2MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050221255-A1 Dental matrix band seal in combination with a matrix band HARADEN WILLIAM J 2005-10-06 — — US claimed
EP-2700636-B1 PROCESS FOR PREPARING EPISULFIDE COMPOUNDS ASAHI CHEMICAL IND (JP) 2017-08-02 — — EP disclosed
EP-2828308-B1 CRASH-DURABLE ADHESIVE WITH ENHANCED STRESS DURABILITY DOW GLOBAL TECHNOLOGIES LLC (US) 2016-05-04 — — EP disclosed
US-20050221255-A1 Dental matrix band seal in combination with a matrix band HARADEN WILLIAM J 2005-10-06 — — US disclosed
WO-2004003050-A1 POLYETHER URETHANE AMINES HUNTSMAN ADVANCED MATERIALS (SWITZERLAND) GMBH (CH) 2004-01-08 — — WO disclosed
US-4179550-A CATIONICALLY POLYMERIZING PETROLEUM FRACTIONS, ADDING PHENOLIC OR NAPHTHOLIC RESIDUES MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1979-12-18 — — US disclosed
US-3951190-A Heat-resistant fuel cell GOODYEAR AEROSPACE CORPORATION (US) 1976-04-20 — — US disclosed
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