SCHEMBL9712067

SCHEMBL9712067

CCCCCCC(C(=O)OS(=O)(=O)O)c1ccccc1.[NaH]

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 2/20 0.44
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ PRSS1 P07477 1/20 0.42
▸ PRSS2 P07478 1/20 0.42
▸ PRSS3 P35030 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ ASAH1 Q13510 1/20 0.41
▸ ACER2 Q5QJU3 1/20 0.41
▸ LMNA P02545 1/20 0.40

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
SCHEMBL9712083 0.99 NAAA (0.45) NAAANPC1RAB9ASMN1; SMN2PRSS1
SCHEMBL21357881 0.83 MMP8 (0.47) NAAANPC1RAB9ASMN1; SMN2PRSS1
SCHEMBL14062067 0.83 NPC1 (0.48) NAAANPC1RAB9ASMN1; SMN2PRSS1
SCHEMBL11578611 0.83 NPC1 (0.48) NAAANPC1RAB9ASMN1; SMN2PRSS1
SCHEMBL4886826 0.81 MMP8 (0.48) NAAANPC1RAB9ASMN1; SMN2PRSS1
SCHEMBL29266760 0.81 NPC1 (0.50) NAAANPC1RAB9ASMN1; SMN2PRSS1
SCHEMBL28066970 0.81 NPC1 (0.50) NAAANPC1RAB9ASMN1; SMN2PRSS1
SCHEMBL12924885 0.81 NPC1 (0.50) NAAANPC1RAB9ASMN1; SMN2PRSS1
SCHEMBL8818975 0.81 MMP8 (0.48) NAAANPC1RAB9ASMN1; SMN2PRSS1
SCHEMBL28066882 0.81 MMP8 (0.48) NAAANPC1RAB9ASMN1; SMN2PRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0201222-B2 PREPARATION OF ACYLOXY BENZENE SULFONATE STEPAN COMPANY (US) 1992-08-05 — — EP disclosed
EP-0201222-B1 PREPARATION OF ACYLOXY BENZENE SULFONATE STEPAN COMPANY (US) 1989-10-18 — — EP disclosed
US-4721805-A SULFONATION WITH SULFUR TRIOXIDE STEPAN COMPANY (US) 1988-01-26 — — US disclosed
US-4692279-A SULFONATING ACYLOXYBENZENE, REARRANGING ADDUCT, NEUTRALIZING SULFONIC ACID PRODUCT STEPAN COMPANY (US) 1987-09-08 — — US disclosed
EP-0201222-A1 Preparation of acyloxy benzene sulfonate STEPAN COMPANY (US) 1986-11-12 — — EP disclosed
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