SCHEMBL10592075

SCHEMBL10592075

O=C(O)c1cc(OCc2ccccc2)c(OCc2ccccc2)c(=O)[nH]1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SRD5A2 P31213 3/20 0.58
▸ SRD5A1 P18405 1/20 0.53
▸ ALDH1A1 P00352 2/20 0.51
▸ HSD17B10 Q99714 2/20 0.51
▸ HPGD P15428 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ USP2 O75604 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ FOLH1 Q04609 1/20 0.45
▸ PTPN1 P18031 1/20 0.44
▸ RHEB Q15382 1/20 0.43
▸ LMNA P02545 2/20 0.43

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
SCHEMBL11532625 0.81 SRD5A2 (0.55) SRD5A2SRD5A1ALDH1A1HSD17B10HPGD
SCHEMBL15716418 0.80 PTPN1 (0.51) SRD5A2SRD5A1ALDH1A1HSD17B10HPGD
SCHEMBL15716144 0.79 ALDH1A1 (0.49) SRD5A2SRD5A1ALDH1A1HSD17B10HPGD
SCHEMBL793724 0.79 MEN1 (0.65) SRD5A2HPGDKDM4EMEN1KMT2A
SCHEMBL5555614 0.78 PDE3B (0.48) SRD5A2SRD5A1ALDH1A1HSD17B10HPGD
Hydrochloric Acid SCHEMBL514496 0.77 MEN1 (0.63) SRD5A2HPGDKDM4EMEN1KMT2A
SCHEMBL14660694 0.77 MEN1 (0.63) SRD5A2HPGDKDM4EMEN1KMT2A
SCHEMBL10590979 0.76 POLB (0.56) SRD5A2SRD5A1ALDH1A1HSD17B10HPGD
SCHEMBL2090373 0.74 LMNA (0.52) HPGDCYP1A2FOLH1PTPN1LMNA
SCHEMBL7174812 0.74 SRD5A2 (0.88) SRD5A2SRD5A1ALDH1A1HSD17B10HPGD

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-0336369-A1 3-Acylamino-1-[[[(substituted sulfonyl)amino]carbonyl]amino]2-azetidinones E.R. Squibb & Sons, Inc. (US) 1989-10-11 — — EP disclosed
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