SCHEMBL28802145

SCHEMBL28802145

CCCCC(O)(CCCC)[C@H]1CCCN1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRCP P42785 3/20 0.41
CYP1A2 P05177 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
CYP2D6 P10635 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38
RAB9A P51151 1/20 0.38
GNAI3 P08754 4/20 0.34
GNAO1 P09471 4/20 0.34
GNAI1 P63096 4/20 0.34
DPP7 Q9UHL4 1/20 0.33
EPHX1 P07099 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
SCHEMBL5670719 0.95 PRCP (0.43) PRCPCYP1A2KDM4ENPC1CYP2D6
SCHEMBL7149515 0.95 PRCP (0.43) PRCPCYP1A2KDM4ENPC1CYP2D6
SCHEMBL20833195 0.81 KDM4E (0.38) PRCPCYP1A2KDM4ENPC1CYP2D6
SCHEMBL20833196 0.81 KDM4E (0.38) PRCPCYP1A2KDM4ENPC1CYP2D6
SCHEMBL5447760 0.80 KDM4E (0.42) PRCPCYP1A2KDM4ENPC1CYP2D6
SCHEMBL14622051 0.80 KDM4E (0.42) PRCPCYP1A2KDM4ENPC1CYP2D6
SCHEMBL21707875 0.79 PRCP (0.35) PRCPCYP1A2KDM4ENPC1CYP2D6
SCHEMBL19627516 0.79 PRCP (0.35) PRCPCYP1A2KDM4ENPC1CYP2D6
SCHEMBL9340449 0.79 CCR2 (0.35) PRCPCYP1A2KDM4ENPC1CYP2D6
SCHEMBL22023785 0.76 PRCP (0.33) PRCPCYP1A2KDM4ENPC1CYP2D6

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
CN-102796134-B Preparation method for Maxacalcitol intermediate GANSU HAOTIAN CHEMICAL TECHNOLOGY CO LTD 2015-07-01 CN disclosed
CN-102796134-A Preparation method for Maxacalcitol intermediate GANSU HAOTIAN CHEMICAL TECHNOLOGY CO LTD 2012-11-28 CN disclosed