SCHEMBL11091963

SCHEMBL11091963

C=CCNCCCCCC1(O)c2ccccc2-c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 4/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
HTT P42858 1/20 0.38
PKM P14618 1/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 2/20 0.35
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
CA12 O43570 2/20 0.31
CA2 P00918 2/20 0.31
CA9 Q16790 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL11474185 0.79 CYP1A2 (0.39) KMT2AKDM4ERAB9AADRB2PKM
SCHEMBL11086422 0.78 GAA (0.40) GAAKMT2AKDM4EALDH1A1NPC1
SCHEMBL17445904 0.78 PDK2 (0.46) KMT2AKDM4EALDH1A1RAB9APKM
SCHEMBL11094297 0.77 PDK2 (0.45) GAAKMT2AKDM4ENPC1RAB9A
SCHEMBL11092218 0.77 KDM4E (0.35) KMT2AKDM4EALDH1A1RAB9APKM
SCHEMBL11092216 0.77 KDM4E (0.35) KMT2AKDM4EALDH1A1RAB9APKM
SCHEMBL11205330 0.77 SIGMAR1 (0.45) KMT2AKDM4EALDH1A1HTTPKM
SCHEMBL11211789 0.75 SIGMAR1 (0.56) ADRB2
SCHEMBL11089092 0.75 MTTP (0.43) GAAKMT2AALDH1A1HTT
SCHEMBL10778233 0.74 ALDH1A1 (0.36) KMT2AKDM4EALDH1A1RAB9AHTT

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
US-4452745-A ANTIARRHYTHMIA AGENTS ELI LILLY AND COMPANY (US) 1984-06-05 US disclosed
US-4382093-A 9-Aminoalkylfluorenes ELI LILLY AND COMPANY (US) 1983-05-03 US disclosed
US-4277495-A FLUORENE 9-AMINOALKYL-9-CARBOXYLIC ACIDS OR ESTERS ELI LILLY AND COMPANY (US) 1981-07-07 US disclosed