SCHEMBL9201350

SCHEMBL9201350

CCC(N)c1cccc(OC)c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
MAPT P10636 3/20 0.50
HPGD P15428 2/20 0.50
ALOX15 P16050 2/20 0.50
HSD17B10 Q99714 2/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
TP53 P04637 1/20 0.50
CYP3A4 P08684 1/20 0.50
ALOX12 P18054 1/20 0.50
MAPK1 P28482 1/20 0.50
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
BCHE P06276 1/20 0.48
TYR P14679 1/20 0.48
ACHE P22303 1/20 0.48
IDO1 P14902 1/20 0.46
ALOX5 P09917 1/20 0.45
PTGS2 P35354 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL9460657 0.88 ALDH1A1 (0.44) KDM4EMAPTHPGDALOX15HSD17B10
SCHEMBL3568729 0.86 KDM4E (0.50) KDM4EMAPTHPGDALOX15HSD17B10
SCHEMBL27706101 0.83 CA1 (0.48) MAPTALDH1A1TP53ACHEIDO1
SCHEMBL14408244 0.81 CYP2D6 (0.48) KDM4EMAPTHPGDALOX15HSD17B10
SCHEMBL11808683 0.81 ALDH1A1 (0.46) MAPTALDH1A1BCHETYRACHE
SCHEMBL9203629 0.80 HPGD (0.55) KDM4EMAPTHPGDALOX15HSD17B10
SCHEMBL20910419 0.79 BCHE (0.59) KDM4EMAPTHPGDALOX15HSD17B10
SCHEMBL7146779 0.78 ALDH1A1 (0.42) KDM4EMAPTHPGDALOX15HSD17B10
SCHEMBL7145781 0.77 ADRA2A (0.56) KDM4EMAPTHPGDALOX15HSD17B10
SCHEMBL9460757 0.77 ALDH1A1 (0.48) KDM4EHPGDHSD17B10ALDH1A1LMNA

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-0485069-B1 Process for producing optically active amines SUMITOMO CHEMICAL CO (JP) 1995-02-15 EP disclosed
US-5231227-A Optically active hydroxybenzylamine derivative and process for producing said compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-07-27 US disclosed
US-5200561-A PROCESS FOR PRODUCING OPTICALLY ACTIVE AMINES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-04-06 US disclosed
EP-0311385-B1 OPTICALLY ACTIVE HYDROXYBENZYLAMINE DERIVATIVE, OPTICALLY ACTIVE AMINE-BORON COMPOUND CONTAINING SAID DERIVATIVE, AND PROCESS FOR PRODUCING OPTICALLY ACTIVE COMPOUND BY USING SAID COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-02-03 EP disclosed
US-5120853-A Reacting optically active amine-boron complex with oxime or ketone to produce opotically active amine or alcohol compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-06-09 US disclosed
EP-0485069-A1 Process for producing optically active amines SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-05-13 EP disclosed
US-5011989-A Asymmetric reducing agents SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-04-30 US disclosed
EP-0311385-A2 Optically active hydroxybenzylamine derivative, optically active amine-boron compound containing said derivative, and process for producing optically active compound by using said compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-04-12 EP disclosed