SCHEMBL9820967

SCHEMBL9820967

CCC1(C(=O)O)CC1c1ccc(C(C)(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.39
RCOR1 Q9UKL0 1/20 0.39
LMNA P02545 2/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
BLM P54132 1/20 0.38
PPARA Q07869 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
MAOA P21397 4/20 0.37
SRD5A2 P31213 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SLC6A2 P23975 1/20 0.36
RIPK1 Q13546 1/20 0.36
PTGER2 P43116 3/20 0.36
TBXA2R P21731 1/20 0.36
PTGER3 P43115 1/20 0.36
MAOB P27338 3/20 0.35
RORC P51449 1/20 0.34

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
SCHEMBL11700667 0.82 KDM1A (0.51) KDM1ASMN1; SMN2MAOAMAOB
SCHEMBL15767640 0.82 KDM1A (0.51) KDM1ASMN1; SMN2MAOAMAOB
SCHEMBL1943935 0.82 KDM1A (0.51) KDM1ASMN1; SMN2MAOAMAOB
SCHEMBL3739337 0.81 KDM1A (0.40) KDM1ARCOR1LMNASMN1; SMN2MAOA
SCHEMBL1000359 0.81 KDM1A (0.51) KDM1ARCOR1LMNATSHRSMN1; SMN2
SCHEMBL15766918 0.81 KDM1A (0.51) KDM1ARCOR1LMNATSHRSMN1; SMN2
SCHEMBL15766917 0.81 KDM1A (0.51) KDM1ARCOR1LMNATSHRSMN1; SMN2
SCHEMBL7077980 0.81 KDM1A (0.51) KDM1ARCOR1LMNACYP2C9TSHR
SCHEMBL7070199 0.79 KMT2A (0.45) LMNACYP2C9TSHRBLMPPARA
SCHEMBL9820886 0.79 KDM1A (0.35) KDM1ARCOR1LMNACYP2C9TSHR

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-0188887-B1 TERTIARY AMINE COMPOUNDS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-05-02 EP disclosed
EP-0188887-A1 Tertiary amine compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-07-30 EP disclosed