SCHEMBL7966299

SCHEMBL7966299

CC(C)c1ccc(OC[C@@H]2CO2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.60
ALDH1A1 P00352 4/20 0.60
TP53 P04637 3/20 0.60
TSHR P16473 3/20 0.60
MEN1 O00255 3/20 0.60
MAPT P10636 2/20 0.60
HPGD P15428 2/20 0.60
HIF1A Q16665 2/20 0.60
CYP1A2 P05177 1/20 0.60
PPARG P37231 1/20 0.60
TDP1 Q9NUW8 2/20 0.59
PKM P14618 2/20 0.56
LMNA P02545 1/20 0.56
GAA P10253 1/20 0.56
CYP3A4 P08684 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
GRM2 Q14416 1/20 0.52
GLA P06280 1/20 0.46
HRH3 Q9Y5N1 1/20 0.42
FKBP1A P62942 1/20 0.42

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
SCHEMBL3143396 1.00 KMT2A (0.60) KMT2AALDH1A1TP53TSHRMEN1
SCHEMBL7966302 1.00 KMT2A (0.60) KMT2AALDH1A1TP53TSHRMEN1
SCHEMBL20931187 0.91 KMT2A (0.51) KMT2AALDH1A1TP53TSHRMEN1
SCHEMBL22077018 0.89 KMT2A (0.80) KMT2AALDH1A1TP53TSHRMEN1
SCHEMBL29463720 0.89 KMT2A (0.66) KMT2AALDH1A1TP53TSHRMEN1
SCHEMBL234681 0.89 ALDH1A1 (0.60) KMT2AALDH1A1TP53TSHRMEN1
SCHEMBL6302139 0.88 ALDH1A1 (0.78) KMT2AALDH1A1TP53TSHRMEN1
SCHEMBL6437258 0.86 ALDH1A1 (0.57) KMT2AALDH1A1TP53TSHRMEN1
SCHEMBL21156547 0.86 ALDH1A1 (0.57) KMT2AALDH1A1TP53TSHRMEN1
SCHEMBL6437264 0.86 ALDH1A1 (0.57) KMT2AALDH1A1TP53TSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6242450-B1 SUBSTITUTED PIPERIDINES ELI LILLY AND COMPANY 2001-06-05 US disclosed
WO-2000006082-A2 TREATMENT OF ANXIETY DISORDERS ELI LILLY AND COMPANY (US) 2000-02-10 WO disclosed
WO-2000006166-A1 5-HT1F ANTAGONISTS ELI LILLY AND COMPANY (US) 2000-02-10 WO disclosed
EP-0976746-A1 5-HT1F antagonists ELI LILLY AND COMPANY (US) 2000-02-02 EP disclosed
EP-0976747-A2 Use of 5HT-1F receptor antagonists for treating anxiety disorders ELI LILLY AND COMPANY (US) 2000-02-02 EP disclosed