SCHEMBL9427285

SCHEMBL9427285

CCC[C](C)C=Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
ALOX15 P16050 1/20 0.50
NPC1 O15118 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ALDH1A1 P00352 2/20 0.47
HDAC3 O15379 3/20 0.47
HDAC4 P56524 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
PLIN1 O60240 2/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 2/20 0.47
RECQL P46063 2/20 0.47
PLIN5 Q00G26 2/20 0.47
ABHD5 Q8WTS1 2/20 0.47
TNKS O95271 1/20 0.47
HCAR2 Q8TDS4 1/20 0.47

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
SCHEMBL9427283 1.00 GLA (0.53) GLATDP1ALOX15NPC1L3MBTL1
SCHEMBL9427036 0.83 GLA (0.57) GLATDP1ALOX15NPC1L3MBTL1
SCHEMBL9427039 0.83 GLA (0.57) GLATDP1ALOX15NPC1L3MBTL1
SCHEMBL574952 0.78 ALDH1A1 (0.70) GLATDP1NPC1L3MBTL1ALDH1A1
SCHEMBL574953 0.78 ALDH1A1 (0.70) GLATDP1NPC1L3MBTL1ALDH1A1
SCHEMBL10437142 0.77 TDP1 (0.46) GLATDP1ALOX15NPC1L3MBTL1
SCHEMBL3240086 0.76 PAM (0.57) GLATDP1ALOX15NPC1L3MBTL1
SCHEMBL9004187 0.76 TRPA1 (0.71) GLATDP1ALOX15NPC1L3MBTL1
Butyric Acid SCHEMBL30510740 0.76 ALDH1A1 (0.68) GLATDP1NPC1L3MBTL1ALDH1A1
SCHEMBL8045618 0.76 TDP1 (0.53) GLATDP1NPC1L3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0586418-A1 SUBSTITUTED TRIAZOLINONES BAYER AG (DE) 1994-03-16 EP claimed
US-5276008-A Herbicides and plant growth regulators BAYER AKTIENGESELLSCHAFT (DE) 1994-01-04 US claimed
WO-1992020663-A1 SUBSTITUTED TRIAZOLINONES BAYER AKTIENGESELLSCHAFT (DE) 1992-11-26 WO claimed
EP-0502307-A2 Substituted 4,5-diamino-1,2,4-triazol-3-(thi)ones BAYER AG (DE) 1992-09-09 EP claimed
EP-0586418-A1 SUBSTITUTED TRIAZOLINONES BAYER AG (DE) 1994-03-16 EP disclosed
US-5276008-A Herbicides and plant growth regulators BAYER AKTIENGESELLSCHAFT (DE) 1994-01-04 US disclosed
WO-1992020663-A1 SUBSTITUTED TRIAZOLINONES BAYER AKTIENGESELLSCHAFT (DE) 1992-11-26 WO disclosed
EP-0502307-A2 Substituted 4,5-diamino-1,2,4-triazol-3-(thi)ones BAYER AG (DE) 1992-09-09 EP disclosed