SCHEMBL17399690

SCHEMBL17399690

CCCCSCC(=O)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 3/20 0.44
▸ CES1 P23141 1/20 0.42
▸ KMT2A Q03164 2/20 0.41
▸ EPHX2 P34913 4/20 0.41
▸ MAPT P10636 2/20 0.41
▸ CES2 O00748 1/20 0.41
▸ GMNN O75496 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ ALDH1A1 P00352 5/20 0.40
▸ LMNA P02545 3/20 0.40
▸ TSHR P16473 2/20 0.40
▸ MEN1 O00255 1/20 0.37
▸ STAT6 P42226 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL16348729 0.94 CES2 (0.50) HSD11B1CES1KMT2AEPHX2MAPT
SCHEMBL5406329 0.77 EPHX2 (0.59) HSD11B1CES1KMT2AEPHX2CES2
SCHEMBL17702596 0.76 KMT2A (0.43) HSD11B1KMT2AEPHX2ALDH1A1LMNA
SCHEMBL3854141 0.75 EPHX2 (0.62) CES1KMT2AEPHX2CES2HSD17B10
SCHEMBL5678990 0.75 EPHX2 (0.62) CES1KMT2AEPHX2CES2HSD17B10
SCHEMBL11855394 0.74 HSD11B1 (0.51) HSD11B1KMT2AMAPTTP53HSD17B10
SCHEMBL1075076 0.74 ALDH1A1 (0.49) HSD11B1KMT2AEPHX2CYP2C9ALDH1A1
SCHEMBL1072478 0.72 ALDH1A1 (0.50) HSD11B1CYP2C9ALDH1A1LMNATSHR
SCHEMBL1770045 0.72 HSD11B1 (0.49) HSD11B1KMT2AMAPTTP53HSD17B10
SCHEMBL28292841 0.71 KMT2A (0.49) KMT2AEPHX2HSD17B10ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1536285-B1 Photosensitive composition, compound for use in the photosensitive composition, and pattern forming method using the photosensitive composition FUJIFILM CORP (JP) 2016-01-06 — — EP disclosed
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