SCHEMBL8096631

SCHEMBL8096631

CCCCCC(CC)C(c1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
SIGMAR1 Q99720 1/20 0.42
HTR2A P28223 1/20 0.40
ASAH1 Q13510 1/20 0.40
OPRM1 P35372 2/20 0.39
OPRD1 P41143 2/20 0.39
OPRK1 P41145 2/20 0.39
OPRL1 P41146 2/20 0.39
CSNK1E P49674 1/20 0.39
NAAA Q02083 2/20 0.38
POLB P06746 2/20 0.38
CNR2 P34972 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 1/20 0.37

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
SCHEMBL8086502 0.94 ALDH1A1 (0.49) LMNAALDH1A1KDM4ESIGMAR1HTR2A
SCHEMBL8095438 0.88 LMNA (0.52) LMNAALDH1A1KDM4ESIGMAR1HTR2A
Phosphonic Acid SCHEMBL9264939 0.86 ALDH1A1 (0.47) LMNAALDH1A1KDM4EASAH1NAAA
Diethylamine SCHEMBL11106466 0.86 ALDH1A1 (0.50) LMNAALDH1A1KDM4EHTR2AASAH1
SCHEMBL10778745 0.82 KDM4E (0.47) LMNAALDH1A1KDM4ESIGMAR1POLB
SCHEMBL8101789 0.81 LMNA (0.52) LMNAHTR2APOLB
SCHEMBL9099644 0.78 LMNA (0.47) LMNAALDH1A1KDM4ESIGMAR1HTR2A
SCHEMBL8095531 0.78 ALDH1A1 (0.43) ALDH1A1KDM4ESIGMAR1HTR2AASAH1
SCHEMBL27692950 0.78 DPP4 (0.45) SIGMAR1HTR2AOPRM1OPRD1OPRK1
SCHEMBL28218362 0.78 LMNA (0.61) LMNAALDH1A1KDM4EASAH1CSNK1E

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-0708077-B1 Diamino compounds and methods for preparing them CHISSO CORP (JP) 2000-12-27 EP disclosed
US-5663440-A Diamino compounds and methods for preparing them CHISSO CORPORATION (JP) 1997-09-02 US disclosed
EP-0708077-A1 Diamino compounds and methods for preparing them CHISSO CORPORATION (JP) 1996-04-24 EP disclosed