SCHEMBL11287448

SCHEMBL11287448

CC(Oc1cccc2c1CCC(=O)N2C)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
TRPV1 Q8NER1 5/20 0.40
MAPK1 P28482 1/20 0.38
NOTUM Q6P988 1/20 0.37
TSHR P16473 2/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.36
GAA P10253 1/20 0.36
CYP2C9 P11712 1/20 0.36
PKM P14618 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
UCHL1 P09936 1/20 0.36
PLA2G2A P14555 3/20 0.35
HTR1A P08908 1/20 0.35
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
SLC6A4 P31645 1/20 0.35

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
SCHEMBL11285441 0.85 KDM4E (0.46) KMT2AMAPK1TSHR
SCHEMBL7387393 0.75 KMT2A (0.50) KMT2ATSHRCYP1A2GAACYP2C9
SCHEMBL11724685 0.72 CYP1A2 (0.46) KMT2AMAPK1TSHRLMNACYP1A2
SCHEMBL20148797 0.71 FAAH (0.41) TRPV1TSHRLMNACYP1A2HTR2C
SCHEMBL9653024 0.70 TRPV1 (0.42) TRPV1GAAHTR1AHTR1DHTR1B
SCHEMBL9653138 0.70 HRH3 (0.40) TRPV1HTR1AHTR1DHTR1BSLC6A4
SCHEMBL885034 0.69 NOTUM (0.49) NOTUMHTR2CHTR2B
SCHEMBL16110071 0.69 TRPV1 (0.40) KMT2ATRPV1CYP1A2HTR1AHTR1D
SCHEMBL424738 0.69 NOTUM (0.47) KMT2ATRPV1NOTUMHTR2CHTR2B
SCHEMBL3600670 0.69 TRPV1 (0.40) KMT2ATRPV1CYP1A2HTR1AHTR1D

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
US-4313947-A TREATMENT OF BLOOD DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1982-02-02 US disclosed
US-4216220-A Platelet aggregation inhibiting 2-oxyindoles, their compositions and method of use OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1980-08-05 US disclosed
US-4070470-A BENCYCLOAMIDE DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JA) 1978-01-24 US disclosed