SCHEMBL7427604

SCHEMBL7427604

O=C(Cc1[c]cccc1)N1CCOCC1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.55
FKBP1A P62942 2/20 0.50
ALDH1A1 P00352 2/20 0.48
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
USP2 O75604 1/20 0.47
TP53 P04637 1/20 0.46
HTT P42858 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HPGD P15428 1/20 0.46
MEN1 O00255 1/20 0.46
POLB P06746 1/20 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
SCHEMBL3771066 0.86 POLB (0.49) MAPTALDH1A1KMT2ASMN1; SMN2RAB9A
SCHEMBL3759997 0.84 POLB (0.48) MAPTALDH1A1KMT2ASMN1; SMN2RAB9A
SCHEMBL5082865 0.81 L3MBTL1 (0.46) ALDH1A1KDM4ERAB9ANPC1USP2
SCHEMBL3988422 0.79 PDK1 (0.42) MAPTALDH1A1POLB
SCHEMBL3980303 0.77 HSD11B1 (0.40) ALDH1A1SMN1; SMN2HPGDPOLB
SCHEMBL1516144 0.76 MAPT (0.82) MAPTFKBP1AALDH1A1KMT2AKDM4E
Hydrochloric Acid SCHEMBL68316 0.74 MAPT (0.79) MAPTFKBP1AALDH1A1KMT2AKDM4E
SCHEMBL3119026 0.73 GAA (0.55) MAPTFKBP1AALDH1A1KDM4ESMN1; SMN2
SCHEMBL3122088 0.73 FKBP1A (0.51) MAPTFKBP1AALDH1A1KDM4ESMN1; SMN2
SCHEMBL16345665 0.73 MAPT (0.63) MAPTFKBP1AKMT2AKDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1073624-A1 AMINOMETHYL-BENZOIC ESTER DERIVATIVES AS TRYPTASE INHIBITORS Proteus Molecular Design Limited (GB) 2001-02-07 EP disclosed
WO-1999055661-A1 AMINOMETHYL-BENZOIC ESTER DERIVATIVES AS TRYPTASE INHIBITORS PROTEUS MOLECULAR DESIGN LIMITED (GB) 1999-11-04 WO disclosed
EP-0229667-A2 Peptidylaminodiols ABBOTT LABORATORIES (US) 1987-07-22 EP disclosed