SCHEMBL15529464

SCHEMBL15529464

CCC=CCCC1CC(=O)C=C(C)C1.CCCCCCCC1CC(=O)C=C(C)C1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
POLB P06746 1/20 0.38
CYP1A2 P05177 3/20 0.35
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.33
MGLL Q99685 2/20 0.32
ALOX5 P09917 2/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
KMT2A Q03164 1/20 0.31
FAAH O00519 1/20 0.31
PPARG P37231 1/20 0.30

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
SCHEMBL15529463 1.00 ALDH1A1 (0.38) ALDH1A1L3MBTL1POLBCYP1A2TSHR
SCHEMBL15547066 0.87 ALDH1A1 (0.46) ALDH1A1L3MBTL1POLBCYP1A2CYP2C19
SCHEMBL15526449 0.87 ALDH1A1 (0.46) ALDH1A1L3MBTL1POLBCYP1A2CYP2C19
SCHEMBL20817553 0.87 ALDH1A1 (0.46) ALDH1A1L3MBTL1POLBCYP1A2CYP2C19
SCHEMBL15526453 0.87 ALDH1A1 (0.46) ALDH1A1L3MBTL1POLBCYP1A2CYP2C19
SCHEMBL15526574 0.86 CYP1A2 (0.45) ALDH1A1L3MBTL1POLBCYP1A2MEN1
SCHEMBL15526445 0.81 CYP1A2 (0.39) ALDH1A1L3MBTL1POLBCYP1A2MEN1
SCHEMBL20446677 0.75 FYN (0.41) ALDH1A1L3MBTL1POLBCYP1A2
SCHEMBL442451 0.75 FYN (0.41) ALDH1A1L3MBTL1POLBCYP1A2
SCHEMBL9095358 0.71 ALDH1A1 (0.45) ALDH1A1L3MBTL1POLBCYP1A2CYP2C19

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-2846636-A1 CONTROL AND REPELLENCY OF BITING FLIES, HOUSE FLIES, TICKS, ANTS, FLEAS, BITING MIDGES, COCKROACHES, SPIDERS AND STINK BUGS Bedoukian Research, Inc. (US) 2015-03-18 EP claimed
WO-2013165479-A1 CONTROL AND REPELLENCY OF BITING FLIES, HOUSE FLIES, TICKS, ANTS, FLEAS, BITING MIDGES, COCKROACHES, SPIDERS AND STINK BUGS BEDOUKIAN RESEARCH, INC. (US) 2013-11-07 WO claimed