SCHEMBL2956436

SCHEMBL2956436

Cc1ccc(NCC(O)O)cc1.O=C(OO)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
RAB9A P51151 6/20 0.47
NPC1 O15118 5/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 1/20 0.47
AGTR1 P30556 1/20 0.47
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
PTGS2 P35354 1/20 0.44
GAA P10253 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
TSHR P16473 1/20 0.42
LMNA P02545 2/20 0.42
POLB P06746 1/20 0.42
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
ADRB3 P13945 1/20 0.42

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
SCHEMBL11228289 0.85 RAB9A (0.49) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
P-Xylene SCHEMBL27438753 0.81 CES2 (0.59) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL33609 0.79 MAPT (0.56) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
Toluene SCHEMBL6691530 0.78 TSHR (0.56) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL29018535 0.78 MAPT (0.54) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL5535344 0.75 HTT (0.45) MAPTRAB9ANPC1ALDH1A1HPGD
Propane SCHEMBL437272 0.72 LMNA (0.59) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
Alcohol SCHEMBL28089300 0.72 LMNA (0.59) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL168120 0.72 MAPT (0.57) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL268305 0.72 TDP1 (0.67) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1

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
US-7758882-B2 Composite biomaterial including anisometric calcium phosphate reinforcement particles and related methods INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2010-07-20 US claimed
US-20030031698-A1 Composite biomaterial including anisometric calcium phosphate reinforcement particles and related methods HAPPE SPINE, LLC 2003-02-13 US claimed
WO-2001054746-A2 COMPOSITE BIOMATERIAL INCLUDING ANISOMETRIC CALCIUM PHOSPHATE REINFORCEMENT PARTICLES ADVANCED RESEARCH AND TECHNOLOGY INSTITUTE, INC. (US) 2001-08-02 WO claimed