Isobutane

Isobutane

SCHEMBL3663817

CC(C)C.O=C(O)c1cccc(CI)c1

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 5/20 0.58
MEP1B Q16820 4/20 0.54
MRGPRX4 Q96LA9 5/20 0.52
ANPEP P15144 1/20 0.51
ENPEP Q07075 1/20 0.51
TP53 P04637 2/20 0.49
PKM P14618 2/20 0.49
NFKB1 P19838 2/20 0.49
NFKB2 Q00653 2/20 0.49
RELA Q04206 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
RAB9A P51151 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49

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
SCHEMBL1421808 0.93 FOLH1 (0.66) FOLH1MEP1BMRGPRX4ANPEPENPEP
SCHEMBL27705268 0.86 FOLH1 (0.58) FOLH1MEP1BMRGPRX4ANPEPENPEP
SCHEMBL27705284 0.81 FOLH1 (0.56) FOLH1MEP1BMRGPRX4ANPEPENPEP
SCHEMBL27752467 0.81 FOLH1 (0.58) FOLH1MEP1BANPEPENPEP
SCHEMBL765921 0.80 FOLH1 (0.61) FOLH1MEP1BMRGPRX4ANPEPENPEP
SCHEMBL12806220 0.79 MAOB (0.51) FOLH1MRGPRX4RAB9A
SCHEMBL1777321 0.79 FOLH1 (0.68) FOLH1MEP1BMRGPRX4ANPEPENPEP
SCHEMBL14478232 0.79 ANPEP (0.69) FOLH1ANPEPENPEP
SCHEMBL8375490 0.79 FOLH1 (0.59) FOLH1MEP1BMRGPRX4ANPEPENPEP
SCHEMBL9622159 0.79 ANPEP (0.69) FOLH1ANPEPENPEP

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
EP-2155711-A1 SUBSTITUTED BENZOYLAMINO-INDAN-2-CARBOXYLIC ACIDS AND RELATED COMPOUNDS Sanofi-Aventis (FR) 2010-02-24 EP disclosed
WO-2008151211-A1 SUBSTITUTED BENZOYLAMINO-INDAN-2-CARBOXYLIC ACIDS AND RELATED COMPOUNDS SANOFI-AVENTIS (FR) 2008-12-11 WO disclosed