SCHEMBL11423533

SCHEMBL11423533

Cc1ccccc1-c1cccc(C(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 3/20 0.49
▸ LMNA P02545 1/20 0.48
▸ CASR P41180 1/20 0.47
▸ CTSA P10619 1/20 0.45
▸ RXRA P19793 2/20 0.45
▸ RXRB P28702 1/20 0.45
▸ RXRG P48443 1/20 0.45
▸ HTR1A P08908 1/20 0.44
▸ PTPN5 P54829 2/20 0.43
▸ BRD4 O60885 1/20 0.42
▸ CREBBP Q92793 1/20 0.42
▸ NR4A2 P43354 1/20 0.41
▸ MCL1 Q07820 1/20 0.40
▸ CNR1 P21554 1/20 0.40
▸ NR1H4 Q96RI1 1/20 0.39

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
SCHEMBL9875662 0.90 LMNA (0.55) HTR7LMNACASRCTSARXRA
SCHEMBL7140766 0.90 LMNA (0.61) HTR7LMNACASRCTSARXRA
SCHEMBL9177215 0.88 RXRA (0.50) LMNARXRARXRBRXRGPTPN5
SCHEMBL18430840 0.87 CTSA (0.46) HTR7LMNACASRCTSARXRA
SCHEMBL30865662 0.84 LMNA (0.47) HTR7LMNACASRHTR1AMCL1
SCHEMBL25906340 0.84 RXRA (0.45) LMNARXRARXRBRXRGPTPN5
SCHEMBL10094616 0.83 HTR7 (0.47) HTR7CASRCTSAHTR1AMCL1
SCHEMBL29628983 0.81 HTR7 (0.60) HTR7HTR1AMCL1CNR1NR1H4
SCHEMBL19577765 0.81 HTR7 (0.60) HTR7HTR1AMCL1CNR1NR1H4
SCHEMBL9875654 0.81 RXRA (0.53) LMNARXRARXRBRXRGPTPN5

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-4187156-A ELECTROLYTIC REDUCTION MONSANTO COMPANY (US) 1980-02-05 — — US disclosed
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