SCHEMBL11178802

SCHEMBL11178802

COc1cc(C)c(C(=O)O)cc1S(=O)(=O)N1CCCCCC1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.65
ALDH1A1 P00352 5/20 0.65
TSHR P16473 4/20 0.65
GAA P10253 2/20 0.65
NPBWR1 P48145 1/20 0.65
MEN1 O00255 3/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
MCOLN3 Q8TDD5 1/20 0.58
LMNA P02545 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.54
POLB P06746 2/20 0.54
KDM4E B2RXH2 1/20 0.53
RAB9A P51151 1/20 0.53
MAPT P10636 1/20 0.52

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
SCHEMBL11184423 0.90 KMT2A (0.68) KMT2AALDH1A1TSHRGAANPBWR1
SCHEMBL11180002 0.89 TSHR (0.73) KMT2AALDH1A1TSHRGAANPBWR1
SCHEMBL11173796 0.87 ALDH1A1 (0.68) KMT2AALDH1A1TSHRGAAMEN1
SCHEMBL11167261 0.86 TSHR (0.63) KMT2AALDH1A1TSHRGAANPBWR1
SCHEMBL11175056 0.82 KMT2A (0.71) KMT2AALDH1A1TSHRGAANPBWR1
SCHEMBL5506579 0.81 KDM4E (0.58) KMT2AALDH1A1TSHRGAANPBWR1
SCHEMBL1001171 0.80 RAB9A (0.72) KMT2AALDH1A1TSHRGAANPBWR1
SCHEMBL7661191 0.80 RAB9A (0.72) KMT2AALDH1A1TSHRGAANPBWR1
SCHEMBL7661631 0.78 RAB9A (0.73) KMT2AALDH1A1TSHRGAAMEN1
SCHEMBL11172100 0.77 TSHR (0.52) KMT2AALDH1A1TSHRGAANPBWR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4377521-A ANTILIPEMIC PFIZER INC. (US) 1983-03-22 US disclosed
US-4138399-A Sulfamylbenzoic acid PFIZER INC. (US) 1979-02-06 US disclosed
US-4124590-A CARDIOVASCULAR DISORDERS, ANTILIPEMIC AGENTS PFIZER INC. (US) 1978-11-07 US disclosed
US-3992441-A ANTILIPEMIC PFIZER INC. (US) 1976-11-16 US disclosed