Isobutane

Isobutane

SCHEMBL9369767

CC(C)C.O=C(CF)Nc1ccc(Cl)c(OS(=O)(=O)O)c1

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GSTO1 P78417 5/20 0.44
▸ TSHR P16473 3/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ GRM4 Q14833 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ HPGD P15428 1/20 0.39
▸ RORC P51449 1/20 0.39
▸ NPC1 O15118 1/20 0.38

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
SCHEMBL10617845 0.77 MEN1 (0.43) GSTO1TSHRKDM4ECYP3A4MEN1
SCHEMBL9369763 0.77 TSHR (0.45) GSTO1TSHRKDM4ECYP3A4MEN1
SCHEMBL8879957 0.73 GSTO1 (0.54) GSTO1TSHRKDM4ECYP3A4MEN1
SCHEMBL9631086 0.72 STK39 (0.48) CYP3A4KMT2AGRM4
SCHEMBL9391202 0.72 GSTO1 (0.55) GSTO1CYP3A4MEN1KMT2AALDH1A1
SCHEMBL9427582 0.71 ALDH1A1 (0.51) GSTO1TSHRKDM4ECYP3A4MEN1
SCHEMBL9633353 0.71 PNLIP (0.46) CYP3A4MEN1KMT2AALDH1A1GRM4
SCHEMBL9633422 0.70 CYP3A4 (0.51) TSHRKDM4ECYP3A4MEN1KMT2A
SCHEMBL10347962 0.70 TSHR (0.55) TSHRKDM4ECYP3A4MEN1KMT2A
SCHEMBL8877679 0.70 TSHR (0.49) GSTO1TSHRKDM4ECYP3A4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0415641-B1 Substituted glutaramic acids and derivatives ROHM & HAAS (US) 1994-01-19 — — EP disclosed
US-5238908-A HERBICIDAL GLUTARAMIC ACIDS AND DERIVATIVES ROHM AND HAAS COMPANY (US) 1993-08-24 — — US disclosed
EP-0415641-A1 Substituted glutaramic acids and derivatives ROHM AND HAAS COMPANY (US) 1991-03-06 — — EP disclosed
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