SCHEMBL4454953

SCHEMBL4454953

Cc1ccccc1P(=O)(OC1CC1)OC1CC1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ALDH1A1 P00352 2/20 0.33
GLA P06280 1/20 0.33
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
ACHE P22303 1/20 0.32
HTR2C P28335 2/20 0.31
NPSR1 Q6W5P4 1/20 0.30
CHRM1 P11229 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL3893728 0.91 KMT2A (0.43) MEN1KMT2ANPC1RAB9AACHE
SCHEMBL4462712 0.86 MAPT (0.39) MEN1KMT2AALDH1A1TSHRHTR2C
SCHEMBL4450443 0.79 CTSB (0.36) MEN1KMT2AALDH1A1TSHRNPSR1
SCHEMBL4456101 0.78 MEN1 (0.41) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL4132350 0.76 NPC1 (0.33) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL3881646 0.74 TSHR (0.39) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL3890445 0.73 KMT2A (0.54) MEN1KMT2AALDH1A1HPGDACHE
SCHEMBL31482562 0.73 KMT2A (0.54) MEN1KMT2AALDH1A1HPGDACHE
SCHEMBL4456055 0.73 LIPG (0.34) TSHR
SCHEMBL4462715 0.73 MAPT (0.37) MEN1KMT2AALDH1A1TSHRHTR2C

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
US-7612148-B2 Hydrogenation catalyst composition and method for hydrogenation of conjugated diene polymer TSRC CORPORATION (TW) 2009-11-03 US disclosed
US-20080146733-A1 Hydrogenation catalyst composition and method for hydrogenation of conjugated diene polymer TSRC CORPORATION (TW) 2008-06-19 US disclosed