SCHEMBL8599042

SCHEMBL8599042

NC(CCS)CCc1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 4/20 0.50
ERAP1 Q9NZ08 2/20 0.47
ERAP2 Q6P179 1/20 0.47
EPHX1 P07099 1/20 0.46
CYP2A6 P11509 1/20 0.43
HTR2A P28223 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
LOXL2 Q9Y4K0 1/20 0.43
S1PR2 O95136 1/20 0.42
S1PR4 O95977 1/20 0.42
S1PR1 P21453 1/20 0.42
S1PR3 Q99500 1/20 0.42
IDO1 P14902 1/20 0.41
ENPEP Q07075 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
DPP4 P27487 1/20 0.40

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
SCHEMBL4895850 0.89 EPHX1 (0.56) ANPEPERAP1ERAP2EPHX1CYP2A6
SCHEMBL5679386 0.85 ANPEP (0.63) ANPEPERAP1ERAP2EPHX1CYP2A6
SCHEMBL18725542 0.85 ANPEP (0.63) ANPEPERAP1ERAP2EPHX1CYP2A6
Hydrochloric Acid SCHEMBL7613449 0.83 ANPEP (0.61) ANPEPERAP1ERAP2EPHX1CYP2A6
Hydrochloric Acid SCHEMBL5681274 0.83 ANPEP (0.61) ANPEPERAP1ERAP2EPHX1CYP2A6
Hydrochloric Acid SCHEMBL5679099 0.83 ANPEP (0.61) ANPEPERAP1ERAP2EPHX1CYP2A6
SCHEMBL16155879 0.81 ANPEP (0.69) ANPEPEPHX1CYP2A6TAAR1CYP2D6
SCHEMBL3585497 0.81 HTR2A (0.56) ANPEPERAP1ERAP2EPHX1CYP2A6
SCHEMBL859527 0.81 ANPEP (0.69) ANPEPEPHX1CYP2A6TAAR1CYP2D6
SCHEMBL19143919 0.79 TDP1 (0.54) ANPEPERAP1ERAP2EPHX1CYP2A6

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-0614930-B1 Modified gelatin types and hydrophilic elements containing them AGFA GEVAERT NV (BE) 1998-02-04 EP disclosed
US-5439791-A Having amino, sulfinic acid or thiol end groups; enhanced reactivity with vinylsulfonyl hardeners AGFA-GEVAERT, N.V. (BE) 1995-08-08 US disclosed
EP-0614930-A1 Modified gelatin types and hydrophilic elements containing them AGFA-GEVAERT N.V. (BE) 1994-09-14 EP disclosed