SCHEMBL11442019

SCHEMBL11442019

CCOc1ccc2c(c1)CCc1c(cccc1C(=O)O)S2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 6/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ NOTUM Q6P988 1/20 0.40
▸ LMNA P02545 3/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ KDM4E B2RXH2 5/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ HPGD P15428 2/20 0.39
▸ PPARD Q03181 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ RXRA P19793 1/20 0.39
▸ RXRB P28702 1/20 0.39
▸ TP53 P04637 2/20 0.39
▸ PKM P14618 1/20 0.38

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
SCHEMBL11427407 0.87 GAA (0.39) NPC1RAB9AL3MBTL1PPARDMRGPRX4
SCHEMBL11441150 0.87 KDM4E (0.43) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL11430646 0.86 ITGB3 (0.35) NPC1RAB9AL3MBTL1ALDH1A1PPARD
SCHEMBL11430671 0.82 ALOX15 (0.36) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL11436448 0.80 TDP1 (0.39) SMN1; SMN2NPC1RAB9ALMNAL3MBTL1
SCHEMBL11427495 0.79 ALDH1A1 (0.42) LMNAALDH1A1TSHRHSD17B10MAPT
SCHEMBL11442746 0.79 MEN1 (0.39) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL11435848 0.78 CXCR5 (0.40) NOTUMKDM4EALDH1A1HPGDCYP1A2
SCHEMBL11432336 0.77 TRPA1 (0.41) SMN1; SMN2KMT2ANOTUMLMNAKDM4E
SCHEMBL11430580 0.76 TAS1R3 (0.39) NPC1RAB9AMEN1KMT2ALMNA

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-4228284-A ANTIINFLAMMATORY AGENTS Nippon Chemiphar Company, Limited (JP) 1980-10-14 — — US disclosed
US-4166127-A ANTIINFLAMMATORY AGENTS NIPPON CHEMIPHAR CO., LTD. (JP) 1979-08-28 — — US disclosed
US-4101667-A ANTIINFLAMMATORY AGENTS NIPPON CHEMIPHAR CO., LTD. (JP) 1978-07-18 — — US disclosed
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