SCHEMBL9637705

SCHEMBL9637705

O=C(OCCN1CCCC1)C1(c2ccccc2)CCCCC1

nearest known ligand 0.97

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.97
MEN1 O00255 3/20 0.95
KMT2A Q03164 3/20 0.95
GAA P10253 1/20 0.83
SIGMAR1 Q99720 14/20 0.81
ALDH1A1 P00352 1/20 0.81
CYP1A2 P05177 1/20 0.81
CYP3A4 P08684 1/20 0.81
CYP2D6 P10635 1/20 0.81
CYP2C9 P11712 1/20 0.81
PKM P14618 1/20 0.81
CYP2C19 P33261 1/20 0.81
PRCP P42785 1/20 0.81
TMEM97 Q5BJF2 1/20 0.81
APOBEC3A P31941 2/20 0.59
APOBEC3G Q9HC16 2/20 0.59
HTT P42858 1/20 0.58

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
Hydrochloric Acid SCHEMBL7377040 0.99 MAPK1 (1.00) MAPK1MEN1KMT2AGAASIGMAR1
Hydrochloric Acid SCHEMBL7377177 0.99 MAPK1 (1.00) MAPK1MEN1KMT2AGAASIGMAR1
Hydrochloric Acid SCHEMBL7378086 0.99 MAPK1 (1.00) MAPK1MEN1KMT2AGAASIGMAR1
Hydrochloric Acid SCHEMBL8097430 0.95 MEN1 (0.95) MAPK1MEN1KMT2AGAASIGMAR1
Hydrochloric Acid SCHEMBL7380625 0.93 MEN1 (0.92) MAPK1MEN1KMT2AGAASIGMAR1
SCHEMBL5564153 0.90 SIGMAR1 (1.00) MAPK1MEN1KMT2AGAASIGMAR1
Hydrochloric Acid SCHEMBL7381926 0.89 MEN1 (1.00) MAPK1MEN1KMT2AGAASIGMAR1
Hydrochloric Acid SCHEMBL11116504 0.87 MEN1 (0.81) MAPK1MEN1KMT2AGAASIGMAR1
Hydrochloric Acid SCHEMBL7384604 0.87 MEN1 (0.98) MAPK1MEN1KMT2AGAASIGMAR1
Hydrochloric Acid SCHEMBL7385268 0.82 MEN1 (0.88) MAPK1MEN1KMT2AGAASIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0495084-A1 ARYLCYCLOALKANEPOLYALKYLAMINES SRI INTERNATIONAL (US) 1992-07-22 EP claimed
WO-1992002481-A1 ARYLCYCLOALKANEPOLYALKYLAMINES SRI INTERNATIONAL (US) 1992-02-20 WO claimed