SCHEMBL13849487

SCHEMBL13849487

CCC(O)c1ccc2cc(Br)ccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
AOC3 Q16853 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
TSHR P16473 1/20 0.42
HIF1A Q16665 1/20 0.42
CYP2A6 P11509 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
UGT2B7 P16662 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
AKR1C3 P42330 3/20 0.37
AKR1C2 P52895 3/20 0.37
AKR1C1 Q04828 1/20 0.37
PTGS1 P23219 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37

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
SCHEMBL6933240 0.88 LMNA (0.54) LMNAMEN1KMT2AAOC3CYP1A2
SCHEMBL15352147 0.86 HDAC1 (0.41) LMNAMEN1KMT2AAOC3CYP1A2
SCHEMBL18378224 0.82 CYP2D6 (0.44) LMNAMEN1KMT2AAOC3CYP1A2
SCHEMBL10120474 0.81 UGT2B7 (0.62) LMNAMEN1KMT2AAOC3CYP1A2
SCHEMBL483715 0.81 UGT2B7 (0.62) LMNAMEN1KMT2AAOC3CYP1A2
SCHEMBL6686367 0.80 LMNA (0.60) LMNAMEN1KMT2ACYP1A2
SCHEMBL16479573 0.80 LMNA (0.60) LMNAMEN1KMT2ACYP1A2
SCHEMBL24779222 0.79 UGT2B7 (0.64) LMNAMEN1KMT2ACYP1A2CYP2D6
SCHEMBL30628955 0.79 UGT2B7 (0.64) LMNAMEN1KMT2ACYP1A2CYP2D6
SCHEMBL6683467 0.77 LMNA (0.57) LMNACYP2D6TSHRHIF1AALDH1A1

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-7534547-B2 Optically active compound and photosensitive resin composition OSAKA GAS COMPANY LIMITED (JP) 2009-05-19 US disclosed