SCHEMBL8644335

SCHEMBL8644335

CCCC(C)C(=O)Oc1cccc(Br)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
KMT2A Q03164 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 3/20 0.46
CYP1A2 P05177 2/20 0.46
GAA P10253 1/20 0.46
RECQL P46063 1/20 0.46
KDM4E B2RXH2 4/20 0.45
HSD17B10 Q99714 2/20 0.45
TSHR P16473 2/20 0.42
LMNA P02545 2/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39

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
SCHEMBL17138165 0.89 TSHR (0.44) ALDH1A1KMT2ASMN1; SMN2MEN1KDM4E
SCHEMBL27552377 0.88 KDM4E (0.50) ALDH1A1KMT2ASMN1; SMN2MAPTCYP1A2
SCHEMBL26566774 0.84 LMNA (0.50) ALDH1A1KMT2ASMN1; SMN2MEN1KDM4E
SCHEMBL17055505 0.81 KDM4E (0.48) ALDH1A1KMT2ASMN1; SMN2MEN1MAPT
SCHEMBL9304892 0.81 CYP1A2 (0.53) ALDH1A1KMT2ASMN1; SMN2MEN1MAPT
SCHEMBL1794534 0.81 KDM4E (0.48) ALDH1A1KMT2ASMN1; SMN2MEN1MAPT
SCHEMBL17138134 0.80 L3MBTL1 (0.46) ALDH1A1KMT2AMEN1GAATSHR
SCHEMBL17138201 0.79 PRSS1 (0.43) ALDH1A1GAATSHRL3MBTL1
SCHEMBL19748762 0.78 CYP1A2 (0.50) ALDH1A1KMT2ASMN1; SMN2MEN1MAPT
SCHEMBL17138193 0.76 KMT2A (0.47) ALDH1A1KMT2ASMN1; SMN2MEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5723666-A USEFUL AS REGULATORS OF CELL PROLIFERATION AND DIFFERENTIATION ALLERGAN (US) 1998-03-03 US disclosed