SCHEMBL9855968

SCHEMBL9855968

O=C(C=Cc1ccccc1)OCOC(=O)C=Cc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.71
AKR1B10 O60218 5/20 0.67
AKR1B1 P15121 5/20 0.67
CA12 O43570 1/20 0.60
CA4 P22748 1/20 0.60
CA6 P23280 1/20 0.60
CA5A P35218 1/20 0.60
CA7 P43166 1/20 0.60
CA9 Q16790 1/20 0.60
CA14 Q9ULX7 1/20 0.60
CA5B Q9Y2D0 1/20 0.60
ALDH1A1 P00352 2/20 0.57
HDAC3 O15379 2/20 0.57
HDAC4 P56524 2/20 0.57
HDAC1 Q13547 2/20 0.57
HDAC2 Q92769 2/20 0.57
HDAC8 Q9BY41 2/20 0.57
HDAC6 Q9UBN7 2/20 0.57
PLIN1 O60240 2/20 0.57
MAPT P10636 2/20 0.57

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
SCHEMBL9855964 1.00 LMNA (0.71) LMNAAKR1B10AKR1B1CA12CA4
SCHEMBL6746068 0.91 LMNA (0.61) LMNAAKR1B10AKR1B1CA12CA4
SCHEMBL6746067 0.91 LMNA (0.61) LMNAAKR1B10AKR1B1CA12CA4
SCHEMBL15673280 0.89 LMNA (0.63) LMNAAKR1B10AKR1B1CA12CA4
SCHEMBL10071614 0.89 LMNA (0.63) LMNAAKR1B10AKR1B1CA12CA4
SCHEMBL1192078 0.89 LMNA (0.63) LMNAAKR1B10AKR1B1CA12CA4
SCHEMBL6926334 0.88 LMNA (0.67) LMNAAKR1B10AKR1B1CA12CA4
SCHEMBL6926335 0.88 LMNA (0.67) LMNAAKR1B10AKR1B1CA12CA4
SCHEMBL19279512 0.88 AKR1B10 (0.83) LMNAAKR1B10AKR1B1CA12CA4
SCHEMBL9277968 0.88 AKR1B10 (0.83) LMNAAKR1B10AKR1B1CA12CA4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0263492-B1 RETINOIDS, THEIR PREPARATION AND USE AS PHARMACEUTICAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 1991-03-13 EP claimed
US-4900478-A SKIN DISORDERS HOFFMANN-LA ROCHE INC. (US) 1990-02-13 US claimed
US-4435496-A WITH FREE RADICAL PHOTOSENSITIZER AMERICAN HOECHST CORPORATION (US) 1984-03-06 US claimed
US-4900478-A SKIN DISORDERS HOFFMANN-LA ROCHE INC. (US) 1990-02-13 US disclosed