SCHEMBL9389209

SCHEMBL9389209

O=C(O)/C=C(\c1ccc(Cl)cc1)S(=O)(=O)C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 2/20 0.40
▸ KMT2A Q03164 4/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ AGER Q15109 1/20 0.39
▸ ALOX15 P16050 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ CYP2C9 P11712 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ POLB P06746 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ MAPT P10636 2/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ LMNA P02545 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ EPHX2 P34913 1/20 0.35

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
SCHEMBL28387489 0.72 SMN1; SMN2 (0.48) KMT2ASMN1; SMN2ALOX15TSHRMEN1
SCHEMBL711690 0.71 POLB (0.45) EPHX1KMT2ASMN1; SMN2AGERALOX15
SCHEMBL8937433 0.65 ALOX15 (0.56) ALOX15TSHRKDM4EALDH1A1MAPT
SCHEMBL765653 0.64 ALDH1A1 (0.49) KMT2ACYP2C9CYP2C19MEN1NPSR1
SCHEMBL196518 0.64 SRD5A2 (0.62) KMT2ASMN1; SMN2MEN1ALDH1A1MAPT
SCHEMBL3167031 0.64 ALDH1A1 (0.41) KMT2ACYP2C9CYP2C19MEN1NPSR1
4-Chloro-Benzoic Acid SCHEMBL28417247 0.63 TSHR (0.59) EPHX1KMT2ASMN1; SMN2AGERALOX15
SCHEMBL7070720 0.62 ALOX15 (0.52) KMT2ASMN1; SMN2ALOX15TSHRKDM4E
SCHEMBL6938875 0.62 NR4A1 (0.59) KMT2ASMN1; SMN2ALOX15TSHRCYP2C19
SCHEMBL9439212 0.62 ALDH1A1 (0.54) ALOX15TSHRKDM4EALDH1A1MAPT

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
WO-1994014765-A1 CYCLOHEXYLSULFONYL-ACRYLIC ACID AND ITS DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR PREPARING SAME Richter Gedeon Vegyészeti Gyár Rt. (HU) 1994-07-07 — — WO claimed
WO-1994014765-A1 CYCLOHEXYLSULFONYL-ACRYLIC ACID AND ITS DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR PREPARING SAME Richter Gedeon Vegyészeti Gyár Rt. (HU) 1994-07-07 — — WO disclosed
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