SCHEMBL27486994

SCHEMBL27486994

COc1cc(C)cc(OC)c1C(=O)PC1CCCCC1.[LiH]

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
GAA P10253 1/20 0.37
PKM P14618 1/20 0.37
TP53 P04637 1/20 0.37
CASP1 P29466 1/20 0.37
TAS1R3 Q7RTX0 2/20 0.37
TAS1R1 Q7RTX1 2/20 0.37
TAS1R2 Q8TE23 2/20 0.37
ERN1 O75460 1/20 0.36
TSHR P16473 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL5995664 0.98 NPC1 (0.41) NPC1RAB9AKDM4EMEN1KMT2A
SCHEMBL27562929 0.98 NPC1 (0.39) NPC1RAB9AKDM4EMEN1KMT2A
SCHEMBL5995632 0.97 NPC1 (0.39) NPC1RAB9AKDM4EMEN1KMT2A
SCHEMBL27489120 0.88 MEN1 (0.44) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL27505874 0.87 CYP3A4 (0.44) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL5998203 0.87 USP2 (0.44) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL5996517 0.85 CYP3A4 (0.45) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL27507492 0.84 L3MBTL1 (0.47) NPC1RAB9AKDM4EMEN1KMT2A
SCHEMBL27562931 0.82 CA12 (0.47) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL5995001 0.80 TAS1R3 (0.53) NPC1RAB9AMEN1KMT2AALDH1A1

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-1198831-C Organic metal monoacylalkylphosphine compound CIBA SC HOLDING AG (CH) 2005-04-27 CN disclosed
CN-1329005-A Organic metal monoacylalkylphosphine compound CIBA SC HOLDING AG (CH) 2002-01-02 CN disclosed