SCHEMBL11054382

SCHEMBL11054382

CCOC(=O)C(C)c1ccc(C)c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CYP1A2 P05177 1/20 0.43
PIN1 Q13526 1/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
MEN1 O00255 2/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
PRNP P04156 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
MMP8 P22894 1/20 0.40
ELANE P08246 1/20 0.39
POLB P06746 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
SCHEMBL28816574 0.83 CYP1A2 (0.43) TSHRLMNASMN1; SMN2CYP1A2ALDH1A1
SCHEMBL27692154 0.83 TSHR (0.45) TSHRLMNASMN1; SMN2PIN1KMT2A
SCHEMBL2650310 0.83 TSHR (0.45) TSHRLMNASMN1; SMN2PIN1KMT2A
SCHEMBL27851962 0.82 CYP1A2 (0.50) SMN1; SMN2CYP1A2ALDH1A1MAPT
SCHEMBL25156303 0.82 KMT2A (0.52) TSHRLMNASMN1; SMN2KMT2AALDH1A1
SCHEMBL31360448 0.82 KMT2A (0.52) TSHRLMNASMN1; SMN2KMT2AALDH1A1
SCHEMBL15203285 0.82 KMT2A (0.52) TSHRLMNASMN1; SMN2KMT2AALDH1A1
SCHEMBL11054288 0.81 CYP1A2 (0.48) LMNACYP1A2ALDH1A1HPGDMAPT
SCHEMBL19145987 0.81 CYP1A2 (0.48) LMNASMN1; SMN2CYP1A2ALDH1A1HPGD
SCHEMBL12930787 0.80 TSHR (0.44) TSHRLMNASMN1; SMN2KMT2AALDH1A1

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-4436715-A Storage and retrieval of singlet oxygen KMS FUSION, INC. (US) 1984-03-13 US disclosed