SCHEMBL23729942

SCHEMBL23729942

O=C1CC2(CCc3ccccc32)c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HTR2A P28223 4/20 0.41
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
MAOB P27338 2/20 0.39
CYP2A6 P11509 1/20 0.39
MAOA P21397 1/20 0.39
KDM1A O60341 1/20 0.39
CES1 P23141 2/20 0.38
CYP1A2 P05177 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTR2C P28335 3/20 0.37
HTR2B P41595 3/20 0.37
SIGMAR1 Q99720 3/20 0.37
HCAR2 Q8TDS4 1/20 0.37
AKR1B1 P15121 1/20 0.36
CCR3 P51677 1/20 0.36
BCHE P06276 1/20 0.36

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
SCHEMBL23730282 0.81 CFTR (0.41) TSHRTDP1ALDH1A1TP53MAOA
SCHEMBL11844513 0.77 CRBN (0.40) ALDH1A1
SCHEMBL666915 0.77 HTR2A (0.55) TSHRTDP1HTR2AALDH1A1TP53
SCHEMBL31741763 0.75 HTR2A (0.53) TSHRTDP1HTR2AALDH1A1TP53
Hydrochloric Acid SCHEMBL30593071 0.75 HTR2A (0.53) TSHRTDP1HTR2AALDH1A1TP53
SCHEMBL7416528 0.72 TSHR (0.49) TSHRTDP1HTR2AALDH1A1TP53
SCHEMBL16045005 0.71 TSHR (0.41) TSHRTDP1HTR2AALDH1A1TP53
SCHEMBL18179342 0.70 PGR (0.39) TDP1CYP1A2MAPTCYP2C19
SCHEMBL24481803 0.70 HTR2A (0.50) TSHRTDP1HTR2AALDH1A1TP53
SCHEMBL11848256 0.70 BACE1 (0.36) TSHRTDP1ALDH1A1MAOBCYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120271428-A Synthetic method and application of 3-oxo-1, 1' -spirobiindane chiral monophenol and chiral phosphite ester monophosphine ligand thereof 南开大学 2025-07-08 CN disclosed
CN-120271428-A Synthetic method and application of 3-oxo-1, 1' -spirobiindane chiral monophenol and chiral phosphite ester monophosphine ligand thereof 南开大学 2025-07-08 CN disclosed
WO-2021152481-A1 HYBRID POLYETHER ETHER KETONE POLYMERS KING ABDULLAH UNIVERSITY OF SCIENCE AND TECHNOLOGY (SA) 2021-08-05 WO disclosed