SCHEMBL29699608

SCHEMBL29699608

C=C1CC1OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CTSK P43235 1/20 0.43
IDO1 P14902 1/20 0.41
PDPK1 O15530 1/20 0.41
MTOR P42345 1/20 0.41
PSEN1 P49768 2/20 0.40
PSEN2 P49810 2/20 0.40
APH1B Q8WW43 2/20 0.40
NCSTN Q92542 2/20 0.40
APH1A Q96BI3 2/20 0.40
PSENEN Q9NZ42 2/20 0.40
CYP2C19 P33261 1/20 0.40
AGXT P21549 1/20 0.40
OPRM1 P35372 2/20 0.39
OPRL1 P41146 2/20 0.39
DPP4 P27487 1/20 0.39
ALDH1A1 P00352 1/20 0.39
BCHE P06276 1/20 0.38

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
SCHEMBL582674 0.78 CTSL (0.50) TSHRCTSLCTSBCTSKIDO1
SCHEMBL29132687 0.78 CTSL (0.50) TSHRCTSLCTSBCTSKIDO1
SCHEMBL22341050 0.74 CYP2C19 (0.41) TSHRCTSLCTSBCTSKPSEN1
SCHEMBL21000277 0.73 CTSL (0.43) CTSLCTSBCTSKPDPK1MTOR
SCHEMBL6053680 0.72 TSHR (0.52) TSHRCTSLCTSBCTSKIDO1
SCHEMBL5663072 0.72 TSHR (0.52) TSHRCTSLCTSBCTSKIDO1
SCHEMBL23258242 0.72 CARM1 (0.46) CTSLCTSBCTSKPSEN1PSEN2
SCHEMBL6469380 0.71 OPRM1 (0.59) TSHRCTSLCTSBCTSKIDO1
SCHEMBL1929688 0.71 CRBN (0.44) CTSLCTSBCTSKPSEN1PSEN2
SCHEMBL1930872 0.71 PSEN1 (0.41) TSHRCTSLCTSBCTSKPDPK1

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
US-20220170904-A1 SYSTEMS AND METHODS FOR MONITORING BIOLOGICAL TISSUE DEGRADATION ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2022-06-02 US disclosed