SCHEMBL21554523

SCHEMBL21554523

CC1CCCCCCCCCCC(O)CC(C)C1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
TRPA1 O75762 2/20 0.32
TRPM8 Q7Z2W7 2/20 0.32
LMNA P02545 1/20 0.32
CYP2C9 P11712 1/20 0.32
GAA P10253 1/20 0.31
PKM P14618 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
EPHX1 P07099 1/20 0.30
KMT2A Q03164 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
SCHEMBL4841935 0.95 TSHR (0.47) TSHRCA1CA2CA4TRPA1
SCHEMBL2195341 0.95 TSHR (0.47) TSHRCA1CA2CA4TRPA1
SCHEMBL2197377 0.95 TSHR (0.47) TSHRCA1CA2CA4TRPA1
SCHEMBL17393428 0.95 TSHR (0.47) TSHRCA1CA2CA4TRPA1
SCHEMBL2196681 0.95 TSHR (0.47) TSHRCA1CA2CA4TRPA1
SCHEMBL6055429 0.95 TSHR (0.47) TSHRCA1CA2CA4TRPA1
SCHEMBL17393310 0.95 TSHR (0.47) TSHRCA1CA2CA4TRPA1
SCHEMBL6055449 0.95 TSHR (0.47) TSHRCA1CA2CA4TRPA1
SCHEMBL2197346 0.95 TSHR (0.47) TSHRCA1CA2CA4TRPA1
SCHEMBL7697461 0.92 TSHR (0.50) TSHRCA1CA2CA4TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3353141-B1 PROCESS FOR PREPARING 3-METHYLCYCLOPENTADECANE-1,5-DIOL BASF SE (DE) 2019-11-06 EP disclosed