SCHEMBL14296901

SCHEMBL14296901

NC1CC2C(C1)C1CC(C(=O)O)CC21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 1/20 0.48
ABAT P80404 2/20 0.40
SLC6A12 P48065 3/20 0.37
SLC6A11 P48066 3/20 0.37
SLC6A13 Q9NSD5 3/20 0.37
CYP2C19 P33261 3/20 0.36
CYP1A2 P05177 3/20 0.36
ALOX15 P16050 3/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP2D6 P10635 3/20 0.34
LMNA P02545 2/20 0.34
PLG P00747 1/20 0.34
PLAT P00750 1/20 0.34
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
SLC1A1 P43005 1/20 0.34
SLC6A4 P31645 1/20 0.34
OAT P04181 1/20 0.34
TSHR P16473 2/20 0.33

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
SCHEMBL4287590 0.86
SCHEMBL295283 0.86
SCHEMBL761864 0.86
SCHEMBL14016358 0.86 CYP2C19 (0.45) GABRR1ABATCYP2C19CYP1A2ALOX15
Hydrochloric Acid SCHEMBL25299022 0.83
Hydrochloric Acid SCHEMBL16763788 0.83
Hydrochloric Acid SCHEMBL364236 0.83
SCHEMBL2890441 0.83 GABRR1 (0.52) GABRR1ABATSLC6A12SLC6A11SLC6A13
SCHEMBL4883600 0.83 GABRR1 (0.52) GABRR1ABATSLC6A12SLC6A11SLC6A13
SCHEMBL11938161 0.77 GABRR1 (0.58) GABRR1ABATSLC6A12SLC6A11SLC6A13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3904503-A1 T CELL RECEPTOR-DEFICIENT T CELL COMPOSITIONS The Trustees of Dartmouth College (US) 2021-11-03 EP disclosed
US-20200399597-A1 T-CELL RECEPTOR-DEFICIENT T CELL COMPOSITIONS DARTMOUTH COLLEGE (US) 2020-12-24 US disclosed
US-20200385677-A1 T-CELL RECEPTOR-DEFICIENT T CELL COMPOSITIONS DARTMOUTH COLLEGE (US) 2020-12-10 US disclosed
US-20200339951-A1 T CELL RECEPTOR-DEFICIENT T CELL COMPOSITIONS DARTMOUTH COLLEGE (US) 2020-10-29 US disclosed
US-20200339950-A1 T CELL RECEPTOR-DEFICIENT T CELL COMPOSITIONS DARTMOUTH COLLEGE (US) 2020-10-29 US disclosed
US-20120321667-A1 T CELL RECEPTOR-DEFICIENT T CELL COMPOSITIONS THE TRUSTEES OF DARTMOUTH COLLEGE 2012-12-20 US disclosed