SCHEMBL11048609

SCHEMBL11048609

CC(C(=O)OOOC(C)(C)C)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.41
ATM Q13315 1/20 0.41
PTGS2 P35354 2/20 0.41
PTGS1 P23219 2/20 0.41
KMT2A Q03164 1/20 0.41
FAAH O00519 1/20 0.36
LMNA P02545 2/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL18990763 0.90 ALDH1A1 (0.53) ALDH1A1TSHRHSD17B10TDP1L3MBTL1
SCHEMBL11053250 0.85 ALDH1A1 (0.47) ALDH1A1TSHRHSD17B10TDP1L3MBTL1
SCHEMBL11054511 0.84 ATM (0.41) ALDH1A1L3MBTL1ATMPTGS2PTGS1
SCHEMBL7651108 0.82 KMT2A (0.52) L3MBTL1PTGS2PTGS1KMT2AFAAH
SCHEMBL11053559 0.80 MEN1 (0.50) ALDH1A1TSHRHSD17B10TDP1L3MBTL1
SCHEMBL2289610 0.79 APP (0.47) ALDH1A1L3MBTL1ATMPTGS2PTGS1
SCHEMBL16782694 0.79 APP (0.47) ALDH1A1L3MBTL1ATMPTGS2PTGS1
SCHEMBL15201697 0.78 KMT2A (0.53) L3MBTL1PTGS2PTGS1KMT2AFAAH
SCHEMBL10405453 0.78 CYP1A2 (0.45) ALDH1A1TSHRHSD17B10TDP1L3MBTL1
SCHEMBL27881153 0.75 PTGS1 (0.49) L3MBTL1ATMPTGS2PTGS1KMT2A

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
US-4486580-A VINYL CHLORIDE, UNSATURATED POLYESTERS PENNWALT CORPORATION (US) 1984-12-04 US claimed
US-4486580-A VINYL CHLORIDE, UNSATURATED POLYESTERS PENNWALT CORPORATION (US) 1984-12-04 US disclosed