SCHEMBL11619787

SCHEMBL11619787

CCC(O)(c1ccccc1)c1ccccc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
HTT P42858 2/20 0.46
MEN1 O00255 6/20 0.45
KMT2A Q03164 6/20 0.45
NR3C2 P08235 1/20 0.45
ATM Q13315 1/20 0.45
ALDH1A1 P00352 1/20 0.42
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA12 O43570 1/20 0.41
CA4 P22748 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL247941 0.91 ATM (0.48) SMN1; SMN2MEN1KMT2ANR3C2ATM
SCHEMBL10740520 0.88 MEN1 (0.46) MEN1KMT2AATMALDH1A1CA1
SCHEMBL7809644 0.85 SMN1; SMN2 (0.47) SMN1; SMN2MEN1KMT2ACYP1A2CYP3A4
SCHEMBL7942001 0.83 ATM (0.40) SMN1; SMN2HTTMEN1KMT2AATM
SCHEMBL10783500 0.83 MEN1 (0.50) SMN1; SMN2MEN1KMT2AALDH1A1LMNA
SCHEMBL22910047 0.82 SMN1; SMN2 (0.47) SMN1; SMN2HTTMEN1KMT2ANR3C2
SCHEMBL10816083 0.80 HTR1B (0.42) SMN1; SMN2MEN1KMT2AALDH1A1CYP1A2
SCHEMBL10817761 0.80 MEN1 (0.55) HTTMEN1KMT2AATMLMNA
SCHEMBL10783484 0.80 MEN1 (0.53) MEN1KMT2A
SCHEMBL4599958 0.79 CYP19A1 (0.48) SMN1; SMN2HTTMEN1KMT2ANR3C2

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
US-4094908-A Alpha-substituted benzhydrol derivatives RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 1978-06-13 US disclosed
US-4039589-A LIVER MICROSOMAL ENZYMES RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 1977-08-02 US disclosed