SCHEMBL10652191

SCHEMBL10652191

O=C(Nc1cccc2ccccc12)OC1CCCCC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.60
HSD17B10 Q99714 2/20 0.56
LMNA P02545 1/20 0.56
TP53 P04637 1/20 0.56
ALOX15 P16050 1/20 0.56
TSHR P16473 1/20 0.56
MAPK1 P28482 1/20 0.56
KDM4E B2RXH2 6/20 0.56
FAAH O00519 1/20 0.54
MGLL Q99685 1/20 0.54
ALDH1A1 P00352 3/20 0.54
HPGD P15428 1/20 0.54
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
RAB9A P51151 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
GAA P10253 1/20 0.51
MRGPRX1 Q96LB2 1/20 0.51
DPP4 P27487 1/20 0.49
PREP P48147 1/20 0.49

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
SCHEMBL9125441 0.84 FAAH (0.50) EPHX1HSD17B10LMNATP53ALOX15
SCHEMBL11193941 0.81 KMT2A (0.56) EPHX1LMNATSHRFAAHMGLL
SCHEMBL10963954 0.80 KDM4E (0.53) EPHX1HSD17B10LMNATP53ALOX15
SCHEMBL11879561 0.80 KMT2A (0.43) EPHX1HSD17B10LMNATP53ALOX15
SCHEMBL11123663 0.79 NPC1 (0.58) FAAHMGLLALDH1A1KMT2AMEN1
SCHEMBL21059239 0.79 FAAH (0.53) EPHX1FAAHMGLLKMT2AMEN1
SCHEMBL21059271 0.79 L3MBTL1 (0.53) EPHX1LMNAFAAHMGLLHPGD
SCHEMBL21059184 0.79 NPC1 (0.58) FAAHMGLLALDH1A1KMT2AMEN1
SCHEMBL11125472 0.79 NPC1 (0.61) TSHRFAAHMGLLKMT2AMEN1
SCHEMBL21059267 0.78 SMN1; SMN2 (0.68) LMNAALOX15TSHRMAPK1FAAH

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
EP-0161550-B1 PROCESS FOR PRODUCING AN ALIPHATIC ISOCYANATE Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1988-01-20 EP disclosed
US-4587056-A CARBONYLATION, OXIDATION, CATALYST ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1986-05-06 US disclosed
EP-0161550-A1 Process for producing an aliphatic isocyanate Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1985-11-21 EP disclosed