SCHEMBL9778652

SCHEMBL9778652

c1ccc(OCCCCOc2ccc(C3SCCS3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.55
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
LTA4H P09960 2/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
MAOB P27338 3/20 0.45
ALOX12 P18054 1/20 0.45
MAPT P10636 2/20 0.45
TAAR1 Q96RJ0 2/20 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
SCHEMBL9778688 0.97 ALDH1A1 (0.50) KCNA3KDM4EALDH1A1LMNALTA4H
SCHEMBL9778698 0.95 ALDH1A1 (0.51) KCNA3KDM4EALDH1A1LMNALTA4H
SCHEMBL9778797 0.88 MAOB (0.47) KCNA3KDM4EALDH1A1LMNALTA4H
SCHEMBL9778498 0.85 NPC1 (0.54) KDM4EALDH1A1LMNALTA4HMAOB
SCHEMBL3693437 0.84 LMNA (0.48) KCNA3KDM4EALDH1A1LMNALTA4H
SCHEMBL9778765 0.83 ALDH1A1 (0.45) KDM4EALDH1A1LMNALTA4HMAOB
SCHEMBL9778805 0.82 KDM1A (0.52) KDM4EALDH1A1LMNALTA4HMAPT
SCHEMBL9778825 0.82 MAOB (0.51) LTA4HMAOBMAOANPC1RAB9A
SCHEMBL9778622 0.81 MAOB (0.59) KDM4EALDH1A1LMNAHDAC6MAOB
SCHEMBL9778718 0.80 MAOB (0.46) KCNA3KDM4EALDH1A1LMNAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5063197-A Aromatic compound MITSUBISHI PAPER MILLS LIMITED (JP) 1991-11-05 US disclosed