SCHEMBL31258111

SCHEMBL31258111

COc1ccc2c(c1)C[C@H](C=O)CO2

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.56
TP53 P04637 5/20 0.49
LMNA P02545 4/20 0.49
POLB P06746 2/20 0.46
MAPT P10636 3/20 0.44
ALOX15 P16050 1/20 0.43
ALOX12 P18054 1/20 0.43
ROCK2 O75116 1/20 0.43
GABRA1 P14867 1/20 0.42
GABRB2 P47870 1/20 0.42
CYP19A1 P11511 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
SCHEMBL31258122 1.00 MTNR1A (0.56) MTNR1ATP53LMNAPOLBMAPT
Hydrochloric Acid SCHEMBL31258028 0.99 MTNR1A (0.55) MTNR1ATP53LMNAPOLBMAPT
SCHEMBL31258218 0.86 MTNR1A (0.48) MTNR1ATP53LMNAPOLBMAPT
SCHEMBL16303447 0.78 MTNR1A (0.58) MTNR1ATP53LMNAPOLBMAPT
SCHEMBL10225793 0.78 DRD2 (0.50) MTNR1ACYP19A1
SCHEMBL24239411 0.78 MAOB (0.51)
SCHEMBL26970908 0.78 MAOB (0.51)
SCHEMBL29052749 0.78 MAOB (0.51)
SCHEMBL17888019 0.78 MTNR1A (0.64) MTNR1ATP53LMNAPOLBMAPT
SCHEMBL9082928 0.77 MTNR1A (0.57) MTNR1ATP53LMNAPOLBMAPT

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
EP-4698529-A1 BLOOD BRAIN BARRIER PENETRATING SELECTIVE INHIBITORS OF ROCK2 PROTEIN KINASES AND USES THEREOF Genosco Inc. (US) 2026-02-25 EP disclosed
WO-2024220173-A1 BLOOD BRAIN BARRIER PENETRATING SELECTIVE INHIBITORS OF ROCK2 PROTEIN KINASES AND USES THEREOF Genosco Inc. (US) 2024-10-24 WO disclosed