SCHEMBL8113159

SCHEMBL8113159

C1=C(C[C]2CCCCC2)CCC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
CXCR3 P49682 2/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
ALOX15 P16050 2/20 0.36
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
EPHX1 P07099 1/20 0.36
PKM P14618 1/20 0.35
KDM1A O60341 1/20 0.34
USP2 O75604 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
LMNA P02545 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31

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
SCHEMBL27265390 0.95 ALDH1A1 (0.46) ALDH1A1CXCR3SMN1; SMN2ALOX15RAB9A
SCHEMBL9419038 0.82 ALDH1A1 (0.50) ALDH1A1CXCR3SMN1; SMN2ALOX15RAB9A
SCHEMBL8677978 0.82 ALDH1A1 (0.44) ALDH1A1CXCR3SMN1; SMN2ALOX15RAB9A
SCHEMBL5320056 0.79 ALDH1A1 (0.52) ALDH1A1CXCR3SMN1; SMN2ALOX15RAB9A
SCHEMBL27516522 0.77 ALDH1A1 (0.43) ALDH1A1CXCR3SMN1; SMN2ALOX15RAB9A
SCHEMBL8381260 0.72 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2ALOX15RAB9ANPC1
SCHEMBL2513477 0.72 ALDH1A1 (0.52) ALDH1A1CXCR3SMN1; SMN2ALOX15RAB9A
SCHEMBL18549794 0.71 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2ALOX15RAB9ANPC1
SCHEMBL7690640 0.71 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2ALOX15RAB9ANPC1
SCHEMBL112394 0.70 ALDH1A1 (0.49) ALDH1A1CXCR3SMN1; SMN2ALOX15RAB9A

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
EP-0973751-A1 PHENYL-AMINO-SULFONYL-UREA DERIVATIVES AS FUNGICIDES AND PESTICIDES BAYER AG (DE) 2000-01-26 EP disclosed
WO-1998038172-A1 PHENYL-AMINO-SULFONYL-UREA DERIVATIVES AS FUNGICIDES AND PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1998-09-03 WO disclosed