SCHEMBL7799019

SCHEMBL7799019

CC[C@H](C)[C@@H]([C]=O)NC(=O)NCc1ccccn1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.60
NPC1 O15118 3/20 0.52
ALDH1A1 P00352 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.50
RAB9A P51151 3/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
KMT2A Q03164 3/20 0.48
TSHR P16473 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
MAPT P10636 1/20 0.48
ALOX15 P16050 1/20 0.48

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
SCHEMBL7799015 1.00 POLB (0.60) POLBNPC1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL7800068 0.89 NPC1 (0.55) POLBNPC1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL7800072 0.89 NPC1 (0.55) POLBNPC1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL7301586 0.82 POLB (0.60) POLBNPC1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL7387341 0.82 POLB (0.60) POLBNPC1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL8742306 0.77 ACACB (0.50) POLBNPC1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL12826770 0.76 POLB (0.57) POLBNPC1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL7750031 0.76 SMN1; SMN2 (0.65) POLBNPC1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL29460273 0.75 SMN1; SMN2 (0.79) POLBNPC1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL21065524 0.75 SMN1; SMN2 (0.79) POLBNPC1ALDH1A1SMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0748801-B1 2-ISOXAZOLINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME, AND PROCESS FOR PRODUCING RELATED DERIVATIVES FROM THE SAME DAICEL CHEM (JP) 2001-12-19 EP disclosed
US-6018069-A 2-isoxazoline derivative and process for producing the same and process for producing related derivatives from the same DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2000-01-25 US disclosed
US-5994558-A 2-isoxazoline derivative and process for producing the same; and process for producing related derivatives from the same DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-11-30 US disclosed
US-5962692-A 2-isoxazoline derivative and process for producing the same, and process for producing related derivatives from the same DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-10-05 US disclosed
US-5750717-A 2-isoxazoline derivative and process for producing the same, and process for producing related derivatives from the same DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1998-05-12 US disclosed
EP-0748801-A1 2-ISOXAZOLINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME, AND PROCESS FOR PRODUCING RELATED DERIVATIVES FROM THE SAME DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1996-12-18 EP disclosed