SCHEMBL9004833

SCHEMBL9004833

CC1=C(C)C[C@@H](C(=O)O)[C@H](C(=O)O)C1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.49
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 2/20 0.46
HPGD P15428 2/20 0.46
HTT P42858 2/20 0.46
LMNA P02545 2/20 0.46
POLB P06746 3/20 0.45
KMT2A Q03164 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
TSHR P16473 1/20 0.45
RXFP1 Q9HBX9 2/20 0.42
GAA P10253 1/20 0.42
GABRR1 P24046 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
SCHEMBL7489573 1.00 TAAR1 (0.49) TAAR1ALDH1A1KDM4EHPGDHTT
SCHEMBL9004827 1.00 TAAR1 (0.49) TAAR1ALDH1A1KDM4EHPGDHTT
SCHEMBL7285333 0.86 KMT2A (0.42) TAAR1ALDH1A1KDM4EHPGDHTT
SCHEMBL9004812 0.86 KMT2A (0.42) TAAR1ALDH1A1KDM4EHPGDHTT
SCHEMBL14518649 0.84 KMT2A (0.48) TAAR1ALDH1A1KDM4EHPGDHTT
SCHEMBL13544603 0.79 TAAR1 (0.59) TAAR1ALDH1A1KDM4EHPGDHTT
SCHEMBL3321895 0.79 TAAR1 (0.51) TAAR1ALDH1A1KDM4EHPGDHTT
SCHEMBL26574088 0.79 TAAR1 (0.41) TAAR1ALDH1A1KDM4EHPGDHTT
SCHEMBL126022 0.78 ALDH1A1 (0.38) TAAR1ALDH1A1KDM4EHPGDHTT
SCHEMBL27709934 0.78 ALDH1A1 (0.38) TAAR1ALDH1A1KDM4EHPGDHTT

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-5583261-A FOR APPLICATION TO PLANTS TO TREAT POWDERY MILDEW BRITISH TECHNOLOGY GROUP LTD. (GB) 1996-12-10 US disclosed
US-5464873-A Antigrowth agents BRITISH TECHNOLOGY GROUP LIMITED (GB) 1995-11-07 US disclosed